SCHEMBL9627751

SCHEMBL9627751

Cc1cccc(C2CCCC2)c1N

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.46
CD44 P16070 1/20 0.45
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
TDO2 P48775 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9627823 0.98 HTR2C (0.44) HTR2CCD44HTR1AHTR7TDO2
SCHEMBL21542803 0.92 HTR2C (0.48) HTR2CCD44HTR2AHTR2BTAAR1
SCHEMBL7748970 0.86 TDO2 (0.37) HTR2CCD44HTR1AHTR7TDO2
SCHEMBL11567722 0.85 TDO2 (0.42) HTR2CHTR1AHTR7TDO2PTGS2
SCHEMBL10627728 0.83 TDO2 (0.44) HTR1AHTR7TDO2PTGS2
SCHEMBL28773240 0.83 TDO2 (0.44) HTR1AHTR7TDO2PTGS2
SCHEMBL534091 0.82 HTR2C (0.47) HTR2CCD44TDO2
SCHEMBL31378241 0.80 CD44 (0.42) HTR2CCD44HTR2AHTR2BTAAR1
SCHEMBL533559 0.80 HTR2C (0.46) HTR2CCD44TDO2
SCHEMBL5743128 0.79 TDO2 (0.38) CD44HTR1AHTR7TDO2PTGS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
EP-0347690-B1 PROCESS FOR MANUFACTURING BENZENE DERIVATIVES, AND BENZENE DERIVATIVES BASF Aktiengesellschaft (DE) 1992-10-21 EP disclosed
US-5151548-A Crop protection agents BASF AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
EP-0347690-A2 Process for manufacturing benzene derivatives, and benzene derivatives BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed