SCHEMBL7016676

SCHEMBL7016676

COc1cc(C(=O)N2CCCCc3cc(Cl)ccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.46
MAPT P10636 4/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
IDO1 P14902 3/20 0.43
KCNH2 Q12809 3/20 0.43
AVPR1A P37288 2/20 0.43
NR3C1 P04150 3/20 0.43
AVPR1B P47901 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL7022623 0.93 TP53 (0.47) MAPTAVPR1ANR3C1AVPR1BPDE4A
Hydrochloric Acid SCHEMBL7012996 0.92 TP53 (0.46) MAPTAVPR1ANR3C1AVPR1BPDE4A
SCHEMBL7019987 0.91 PDE4A (0.53) AVPR2MAPTAVPR1AAVPR1BPDE4A
SCHEMBL7017240 0.88 PDE4A (0.50) AVPR2AVPR1AAVPR1BPDE4APDE4B
SCHEMBL7023564 0.88 AVPR1A (0.44) AVPR2MAPTAVPR1ANR3C1AVPR1B
Hydrochloric Acid SCHEMBL7023272 0.88 AVPR1A (0.43) AVPR2MAPTAVPR1ANR3C1AVPR1B
SCHEMBL7016824 0.87 AVPR1A (0.42) AVPR2MAPTAVPR1ANR3C1AVPR1B
SCHEMBL7021681 0.87 AVPR1A (0.43) MAPTIDO1KCNH2AVPR1AAVPR1B
Hydrochloric Acid SCHEMBL7017309 0.86 AVPR1A (0.42) AVPR2MAPTAVPR1ANR3C1AVPR1B
Hydrochloric Acid SCHEMBL7017336 0.86 AVPR1A (0.43) MAPTIDO1KCNH2AVPR1AAVPR1B

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-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed