SCHEMBL2107

SCHEMBL2107

CC(CN)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 1.00
HTR2A P28223 2/20 0.59
AOC3 Q16853 2/20 0.58
TRPA1 O75762 4/20 0.50
RIPK1 Q13546 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA4 P43681 1/20 0.48
HRH1 P35367 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL238388 1.00 TAAR1 (1.00) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL240503 1.00 TAAR1 (1.00) TAAR1HTR2AAOC3TRPA1RIPK1
Bromide SCHEMBL29883460 0.97 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1RIPK1
Bromide SCHEMBL28358414 0.97 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1RIPK1
Hydrochloric Acid SCHEMBL337907 0.97 TAAR1 (0.95) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL1930994 0.91 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1RIPK1
SCHEMBL28569127 0.91 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1RIPK1
Bicarbonate SCHEMBL9490583 0.91 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1
SCHEMBL28569125 0.91 TAAR1 (0.83) TAAR1HTR2AAOC3TRPA1RIPK1
Ammonia Solution, Strong SCHEMBL8416958 0.87 TAAR1 (0.76) TAAR1HTR2AAOC3TRPA1RIPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1896 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722714-A1 SIMULTANEOUS ANALYSIS OF FOOD-BORNE DOPING SUBSTANCES USING LIQUID CHROMATOGRAPHY-MASS SPECTROMETRY (VFD: VACCINE FOR FOODBORNE DOPING) Korea Institute of Science and Technology (KR) 2026-04-08 EP claimed
CN-119923169-A Method for improving circularly polarized light detection performance of perovskite film through achiral cations 复旦大学 2025-05-02 CN claimed
CN-119462433-A Synthesis method of N, N' -disubstituted asymmetric urea and chlorazuron 内蒙古工业大学 2025-02-18 CN claimed
CN-119243339-A Nonlinear optical crystal and preparation method and application thereof 季华实验室 2025-01-03 CN claimed
WO-2024254645-A1 COMPOSITION AND METHOD TO TREAT, AMELIORATE OR PREVENT A PSYCHOLOGICAL, NEUROLOGICAL OR INFLAMMATORY DISORDER, AND METHOD FOR PREPARING COMPOSITION Psychae Therapeutics Pty Ltd (AU) 2024-12-19 WO claimed
EP-3613750-B1 OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID, OPTICALLY-ACTIVE 2-AMINO-PHOSPHONOALKANE ACID SALT, AND HYDRATES OF THESE UNIV KYOTO (JP) 2024-12-11 EP claimed
CN-114539847-B Pigment dispersion composition for black matrix, resist composition for black matrix, and black matrix 阪田油墨株式会社 2024-12-03 CN claimed
CN-118726998-A Preparation method for preparing benzyl carboxylic acid compound from benzylamine and carbon dioxide 哈尔滨工业大学(深圳) 2024-10-01 CN claimed
CN-118324680-A Synthesis method of (alpha S, 3S) -alpha-amino-2-oxo-3-pyrrolidine propionamide hydrochloride 宁波酶赛生物工程有限公司 2024-07-12 CN claimed
CN-117946370-A Ester bond curing agent, degradable epoxy resin and preparation of composite material thereof 四川大学 2024-04-30 CN claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
CN-1343024-A Organic amine used as additive in electrochemical battery MERCK PATENT GMBH (DE) 2002-04-03 CN claimed
EP-1187244-A2 Organic amines as additives for electrochemical cells MERCK PATENT GmbH (DE) 2002-03-13 EP claimed
CN-1337953-A Novel thyroid receptor ligands and method II KAROBIO AB (SE) 2002-02-27 CN claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
CN-1283621-A Process for preparing optically active 3-n-butyl phenylphthaleine INST OF MEDICINAL MATERIALS CH (CN) 2001-02-14 CN claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed