SCHEMBL7339290

SCHEMBL7339290

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)O)cc2)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
MRGPRX4 Q96LA9 5/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 3/20 0.42
PAX8 Q06710 2/20 0.42
TP53 P04637 1/20 0.42
KLF5 Q13887 1/20 0.42
HIF1A Q16665 1/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL7341942 0.93 NPC1 (0.47) RXRAMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL7336935 0.91 MAPT (0.48) MRGPRX4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7337851 0.86 BRD4 (0.42) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL7347643 0.85 RXRA (0.44) RXRAMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL7343710 0.83 NPC1 (0.36) MRGPRX4NPC1RAB9ATP53MEN1
SCHEMBL7340038 0.83 L3MBTL3 (0.43) NPC1RAB9APOLBALDH1A1HPGD
SCHEMBL7373410 0.82 NPC1 (0.51) RXRAMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL7338948 0.81 CYP19A1 (0.53) RXRAMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL7371851 0.79 CYP1A2 (0.43) RAB9AALDH1A1MAPTHPGDMEN1
SCHEMBL7346398 0.79 RXRA (0.55) RXRAMRGPRX4NPC1RAB9ASMN1; SMN2

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-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed