SCHEMBL7087439

SCHEMBL7087439

COC(=O)CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.63
DRD3 P35462 1/20 0.63
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.61
HTR2C P28335 1/20 0.61
HSD17B10 Q99714 1/20 0.59
AKR1C3 P42330 1/20 0.58
HDAC1 Q13547 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL13113077 0.85 DRD2 (0.66) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL3246963 0.84 KDM4E (0.68) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL8870837 0.84 KDM4E (0.67) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL13101463 0.83 DRD2 (0.63) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL1204956 0.82 KDM4E (0.69) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL6162398 0.82 PYGL (0.69)
SCHEMBL28918159 0.82 ALOX15 (0.50) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL9397179 0.82 DRD2 (0.74) DRD2DRD3KDM4EALDH1A1GAA
SCHEMBL7374142 0.82 HDAC1 (0.72) DRD2DRD3KDM4EALDH1A1HTR2C
SCHEMBL7369673 0.82 HDAC1 (0.72) DRD2DRD3KDM4EALDH1A1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483367-B Use of indole compounds in preparation of drugs 上海柏晓企业管理咨询中心 2021-07-27 CN disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed