SCHEMBL7019750

SCHEMBL7019750

COc1cc(C(=O)N2CCCN(C)c3ncccc32)ccc1C(=O)Nc1cccc2c1nc(C)n2C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 4/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 2/20 0.36
AVPR1A P37288 3/20 0.35
AVPR1B P47901 2/20 0.35
TP53 P04637 3/20 0.34
HDAC8 Q9BY41 1/20 0.34
AVPR2 P30518 2/20 0.34
THRB P10828 1/20 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
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 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) LMNAAVPR1AAVPR1BAVPR2PDE4A
SCHEMBL7019122 0.84 MAPT (0.39) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7021889 0.84 AVPR1A (0.46) MAPTLMNAMEN1KMT2AGAA
SCHEMBL7021331 0.83 AVPR2 (0.41) MEN1KMT2APOLBAVPR1AAVPR1B
SCHEMBL7014179 0.83 AVPR1A (0.39) LMNAAVPR1AAVPR1BTP53AVPR2
SCHEMBL7019710 0.83 AVPR1A (0.41) MAPTLMNAAVPR1AAVPR1BTP53
SCHEMBL7019799 0.83 MAPT (0.42) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7020124 0.82 AVPR1A (0.40) MAPTLMNAMEN1KMT2APOLB
SCHEMBL7019411 0.82 AVPR1A (0.55) MAPTAVPR1AAVPR1BTP53AVPR2
Hydrochloric Acid SCHEMBL7021813 0.82 MAPT (0.41) MAPTLMNAMEN1KMT2ARAB9A

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