SCHEMBL7017223

SCHEMBL7017223

COc1cc(C(=O)N2CCC(=O)Nc3ccccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.42
ALDH1A1 P00352 3/20 0.40
CREBBP Q92793 2/20 0.36
AVPR1A P37288 3/20 0.35
AVPR1B P47901 1/20 0.35
CRBN Q96SW2 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
ROCK2 O75116 1/20 0.35
NR1H2 P55055 1/20 0.35
BACE1 P56817 1/20 0.35
AVPR2 P30518 2/20 0.34
KDM4E B2RXH2 2/20 0.34
BRPF1 P55201 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 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
SCHEMBL7014299 0.85 PDE4A (0.48) AVPR1AAVPR1BTSHRAVPR2PDE4A
SCHEMBL7021331 0.84 AVPR2 (0.41) AVPR1AAVPR1BPOLBROCK2NR1H2
SCHEMBL7020351 0.83 NR1H2 (0.38) ALDH1A1AVPR1AAVPR1BPOLBNR1H2
SCHEMBL7015520 0.83 PRMT5 (0.39) ALDH1A1AVPR1APOLBROCK2NR1H2
SCHEMBL7023856 0.83 AVPR1A (0.38) ALDH1A1AVPR1AAVPR1BPOLBROCK2
SCHEMBL7021889 0.83 AVPR1A (0.46) BRD4ALDH1A1AVPR1AAVPR1BPOLB
SCHEMBL7019122 0.83 MAPT (0.39) ALDH1A1AVPR1AAVPR1BPOLBNR1H2
SCHEMBL7022859 0.83 BRD4 (0.47) BRD4ALDH1A1CREBBPAVPR1AAVPR1B
SCHEMBL7019411 0.82 AVPR1A (0.55) AVPR1AAVPR1BAVPR2MAPT
SCHEMBL7020124 0.82 AVPR1A (0.40) BRD4AVPR1AAVPR1BPOLBBACE1

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