SCHEMBL7019122

SCHEMBL7019122

COc1cc(C(=O)N2CCCOc3ccccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
AVPR1A P37288 2/20 0.37
AVPR1B P47901 2/20 0.37
AVPR2 P30518 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7014299 0.88 PDE4A (0.48) AVPR1AAVPR1BAVPR2PDE4APDE4B
SCHEMBL7021889 0.86 AVPR1A (0.46) MAPTAVPR1AAVPR1BAVPR2PDE4A
SCHEMBL7015520 0.86 PRMT5 (0.39) MAPTAVPR1AAVPR2PDE4APDE4B
SCHEMBL7021331 0.84 AVPR2 (0.41) AVPR1AAVPR1BAVPR2PDE4APDE4B
SCHEMBL7019750 0.84 MAPT (0.38) MAPTAVPR1AAVPR1BAVPR2PDE4A
SCHEMBL7023856 0.84 AVPR1A (0.38) MAPTAVPR1AAVPR1BAVPR2PDE4A
SCHEMBL7019411 0.84 AVPR1A (0.55) MAPTAVPR1AAVPR1BAVPR2
SCHEMBL7020124 0.84 AVPR1A (0.40) MAPTAVPR1AAVPR1BAVPR2PDE4A
SCHEMBL7017223 0.83 BRD4 (0.42) MAPTAVPR1AAVPR1BAVPR2PDE4A
SCHEMBL7022167 0.83 MEN1 (0.37) MAPTAVPR1AAVPR2MEN1KMT2A

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