SCHEMBL7377166

SCHEMBL7377166

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccc(Cl)cc3O)c(Cl)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.48
AVPR1A P37288 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TMPRSS4 Q9NRS4 2/20 0.42

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
SCHEMBL8814928 0.90 NPC1 (0.46) NPC1RAB9AL3MBTL1LMNAKMT2A
SCHEMBL7376165 0.89 AVPR2 (0.48) AVPR2AVPR1ANPC1RAB9AL3MBTL1
SCHEMBL7367409 0.89 HTT (0.47) NPC1L3MBTL1KMT2AMEN1KDM4E
SCHEMBL7370810 0.85 L3MBTL1 (0.52) AVPR2AVPR1AL3MBTL1LMNAKMT2A
SCHEMBL7512593 0.85 CYP19A1 (0.45) AVPR2AVPR1ANPC1RAB9AL3MBTL1
SCHEMBL7513968 0.84 RAB9A (0.46) AVPR2AVPR1ANPC1RAB9ALMNA
SCHEMBL7373393 0.82 ALDH1A1 (0.47) AVPR2AVPR1ANPC1RAB9ATP53
SCHEMBL7370671 0.82 GCGR (0.41) AVPR2AVPR1AL3MBTL1KMT2AMEN1
SCHEMBL7376778 0.81 NPC1 (0.51) NPC1RAB9AL3MBTL1LMNAKMT2A
SCHEMBL7374161 0.80 AVPR2 (0.40) AVPR2AVPR1ALMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed