SCHEMBL8404680

SCHEMBL8404680

COc1ccccc1C1CC(Br)C(=O)NC(c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR2C P28335 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
MAP1LC3B Q9GZQ8 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 1/20 0.39
TACR1 P25103 3/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7870723 0.83 TSHR (0.43) TSHRHTR2CMAPK1KDM4E
SCHEMBL8921532 0.81 MAPT (0.38) L3MBTL1MEN1KMT2AKDM4E
SCHEMBL8402089 0.79 HTR2C (0.47) TSHRHSD17B10HTR2CL3MBTL1MAP1LC3B
SCHEMBL8920948 0.76 L3MBTL1 (0.41) TSHRHTR2CL3MBTL1
SCHEMBL8398502 0.69 HTR2C (0.47) HTR2CMAP1LC3BMEN1KMT2AUSP2
SCHEMBL8519649 0.67 CCKBR (0.40) HSD17B10HTR2CMAP1LC3BMEN1KMT2A
SCHEMBL8870353 0.66 HTR2C (0.50) TSHRHSD17B10HTR2CL3MBTL1MEN1
SCHEMBL30384404 0.66 MAP1LC3B (0.54) HTR2CL3MBTL1MAP1LC3BMEN1KMT2A
SCHEMBL21121203 0.65 SMN1; SMN2 (0.45) HSD17B10L3MBTL1MEN1KMT2AUSP2
SCHEMBL21121204 0.65 SMN1; SMN2 (0.45) HSD17B10L3MBTL1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711283-B1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER (US) 1999-06-16 EP disclosed
US-5618811-A Tetrahydro-1H-benzazepinones and hexahydroazepinones as selective cholecystokinin-B receptor antagonists PFIZER INC. (US) 1997-04-08 US disclosed
EP-0711283-A1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER INC. (US) 1996-05-15 EP disclosed
WO-1995003281-A1 TETRAHYDRO-1H-BENZAZEPINONES AND HEXAHYDROAZEPINONES AS SELECTIVE CHOLECYSTOKININ-B RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-02-02 WO disclosed