SCHEMBL5604

SCHEMBL5604

c1ccc2c(c1)CCC[N]2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
NOS3 P29474 3/20 0.44
NOS2 P35228 2/20 0.43
NOS1 P29475 1/20 0.43
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 5/20 0.36
BCHE P06276 1/20 0.36
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.33
TRPA1 O75762 1/20 0.33

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
Bromide SCHEMBL11831501 0.98 TSHR (0.46) TSHRNOS3NOS2NOS1NPC1
SCHEMBL8326 0.93 TSHR (0.52) TSHRNOS3NOS2NOS1NPC1
SCHEMBL2003226 0.91 TSHR (0.50) TSHRNOS3NOS2NOS1NPC1
SCHEMBL27008 0.85
SCHEMBL14999656 0.75 TSHR (0.52) TSHRNOS3NOS2NOS1NPC1
SCHEMBL7344549 0.73 CD44 (0.45) MAPTMAOBMEN1CYP3A4KMT2A
SCHEMBL2313991 0.71 NOS3 (0.48) TSHRNOS3NOS2NOS1NPC1
SCHEMBL224421 0.71 SIGMAR1 (0.54) ALDH1A1
SCHEMBL221597 0.71 SIGMAR1 (0.54) NOS3NOS2NOS1ALDH1A1
SCHEMBL11531367 0.70 NOS3 (0.33) NOS3NOS2NOS1MAPTTRPA1

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

Appears in 15527 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP claimed
CN-118324743-A Nav1.8 inhibitor and preparation method and application thereof 中国科学院上海药物研究所 2024-07-12 CN claimed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN claimed
EP-4389130-A1 APPLICATION OF STEROID COMPOUND IN PREPARATION OF DRUG FOR PREVENTING AND/OR TREATING EYE FLOATERS Guangzhou Ocusun Ophthalmic Biotechnology Co., Ltd. (CN) 2024-06-26 EP claimed
US-20240199638-A1 GLUTARIMIDES FOR MEDICAL TREATMENT C4 THERAPEUTICS, INC. (US) 2024-06-20 US claimed
EP-4385985-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-06-19 EP claimed
CN-118201929-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 广东弘烨医药科技有限公司 2024-06-14 CN claimed
CN-118176004-A Use of steroid compounds for the prevention and/or treatment of cataracts 广州润尔眼科生物科技有限公司 2024-06-11 CN claimed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN claimed
CN-118108706-A Glutarimide C4医药公司 2024-05-31 CN claimed
EP-0008746-A1 Alpha-(N-arylsulfonyl-L-argininamides, processes for their preparation and pharmaceutical compositions containing these substances MITSUBISHI KASEI CORPORATION (JP) 1980-03-19 EP claimed
EP-0005380-A2 Phototropic photosensitive compositions containing a fluoran colorformer Dynachem Corporation (US) 1979-11-14 EP claimed
EP-0005379-A2 Photosensitive compositions containing carbonylic halides as activators Dynachem Corporation (US) 1979-11-14 EP claimed
US-4140681-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1979-02-20 US claimed
US-4131673-A INHIBITION AND SUPPRESSION OF THROMBOSIS IN MAMMALS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1978-12-26 US claimed
US-4125604-A PEPTIDES, ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-11-14 US claimed
US-4117127-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-09-26 US claimed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US claimed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US claimed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 US claimed