SCHEMBL7022167

SCHEMBL7022167

COc1cc(C(=O)N2Cc3cccnc3Oc3ccccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
NR1H2 P55055 1/20 0.36
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL7022486 0.83 MEN1 (0.41) MEN1KMT2ARAB9AAVPR2AVPR1A
SCHEMBL7019122 0.83 MAPT (0.39) MEN1KMT2ARAB9AAVPR2AVPR1A
Hydrochloric Acid SCHEMBL7017945 0.83 MEN1 (0.40) MEN1KMT2ARAB9AAVPR2AVPR1A
SCHEMBL7021331 0.82 AVPR2 (0.41) MEN1KMT2AAVPR2AVPR1ANR1H2
SCHEMBL7015520 0.82 PRMT5 (0.39) AVPR2AVPR1AMAPTLMNANR1H2
SCHEMBL7014299 0.81 PDE4A (0.48) AVPR2AVPR1ALMNA
SCHEMBL7019750 0.81 MAPT (0.38) MEN1KMT2ARAB9AAVPR2AVPR1A
SCHEMBL7023856 0.80 AVPR1A (0.38) RAB9AAVPR2AVPR1AMAPTLMNA
SCHEMBL7025753 0.80 AVPR2 (0.39) MEN1KMT2AAVPR2AVPR1ANR1H2
SCHEMBL7020351 0.79 NR1H2 (0.38) MEN1KMT2ARAB9AAVPR2AVPR1A

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