SCHEMBL40598

SCHEMBL40598

[CH2]C1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.46
HTR2A P28223 2/20 0.46
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
POLB P06746 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37

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
SCHEMBL7376488 0.83
SCHEMBL499897 0.75 HTR2A (0.58) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL524603 0.73 GPR3 (0.50) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL29950614 0.73 GPR3 (0.50) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL1107108 0.71 GPR3 (0.48) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL825558 0.71 HTR2A (0.55) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL7869538 0.71 HTR2A (0.50) HTR2APOLBCYP2D6ACHEBCHE
SCHEMBL5084440 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
Ethylene SCHEMBL6917726 0.69 GPR3 (0.41) GPR3HTR2AHDAC3HDAC4HDAC7
SCHEMBL7400164 0.69 HTR2C (0.39) HTR2APOLBCYP1A2CYP2D6ACHE

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 14545 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634951-B1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS ZYDUS LIFESCIENCES LTD (IN) 2024-07-10 EP claimed
US-20240209009-A1 PEPTIDES COMPRISING A PHOSPHORYLCHOLINE CONJUGATE AND METHODS OF SYNTHESIZING SAME TARSIER PHARMA LTD. (IL) 2024-06-27 US claimed
WO-2024121253-A1 NOVEL N,N-DIMETHYLTRYPTAMINE (DMT) DERIVATIVES AND USES THEREOF MIHKAL GMBH (CH) 2024-06-13 WO claimed
EP-4380998-A2 METHOD OF SYNTHESIZING A MUCIN AND PRODUCT THEREOF Research Foundation Of The City University Of New York (US) 2024-06-12 EP claimed
US-20240182950-A1 METHODS AND SYSTEMS FOR CHARACTERIZING PHOSPHOSERINE-CONTAINING POLYPEPTIDES Quantum-Si Incorporated (US) 2024-06-06 US claimed
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
EP-3908587-B1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MAN CO LTD (JP) 2024-05-22 EP claimed
WO-2024086781-A2 METHODS AND SYSTEMS FOR CHARACTERIZING PHOSPHOSERINE-CONTAINING POLYPEPTIDES Quantum-Si Incorporated (US) 2024-04-25 WO claimed
CN-117916374-A Oligonucleotide-based delivery vehicles for oligonucleotide agents and methods of use thereof 中美瑞康核酸技术(南通)研究院有限公司 2024-04-19 CN claimed
US-20240124510-A1 Cyclic Glycoaminoacid Derivatives TFCHEM (FR) 2024-04-18 US claimed
US-4413132-A Antibiotic CC-1065 indoline intermediates THE UPJOHN COMPANY (US) 1983-11-01 US claimed
EP-0043219-B1 IMMUNOREGULATORY DIKETOPIPERAZINE COMPOUNDS ORTHO PHARMACEUTICAL CORPORATION (US) 1983-10-05 EP claimed
US-4400518-A Composition of matter and process THE UPJOHN COMPANY (US) 1983-08-23 US claimed
US-4369137-A N-Protected pentapeptides useful as intermediates in the preparation of thymopoietin pentapeptide ORTHO PHARMACEUTICAL CORPORATION (US) 1983-01-18 US claimed
US-4331595-A Immunoregulatory diketopiperazine compounds ORTHO PHARMACEUTICAL CORPORATION (US) 1982-05-25 US claimed
EP-0043219-A1 Immunoregulatory diketopiperazine compounds ORTHO PHARMACEUTICAL CORPORATION (US) 1982-01-06 EP claimed
EP-0042291-A2 Methods and compositions for preparation of H-Arg-X-Z-Y-Tyr-R ORTHO PHARMACEUTICAL CORPORATION (US) 1981-12-23 EP claimed
US-4298523-A OLIGOPEPTIDES OF ARGININE, LYSINE, VALINE, SARCOSINE, ASPARTIC OR GLUTAMIC ACID, AND TYROSINE ORTHO PHARMACEUTICAL CORPORATION (US) 1981-11-03 US claimed
US-4250086-A Method and composition for preparation of H-SAR-LYS-SAR-GLN-NH2 ORTHO PHARMACEUTICAL CORPORATION (US) 1981-02-10 US claimed
EP-0018793-A2 Peptides and process for their preparation ORTHO PHARMACEUTICAL CORPORATION (US) 1980-11-12 EP claimed