SCHEMBL7019799

SCHEMBL7019799

COc1cc(C(=O)N2CCCN(C)c3ncccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 4/20 0.41
HPGD P15428 1/20 0.40
DHODH Q02127 1/20 0.40
POLB P06746 1/20 0.39
AVPR1A P37288 2/20 0.38
AVPR1B P47901 1/20 0.38
TP53 P04637 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
PDE4D Q08499 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AVPR2 P30518 1/20 0.36

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
Hydrochloric Acid SCHEMBL7021813 0.99 MAPT (0.41) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7016731 0.86 HDAC6 (0.45) MAPTLMNAMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL7027051 0.85 HDAC6 (0.45) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7019987 0.83 PDE4A (0.53) MAPTLMNAMEN1KMT2AGAA
SCHEMBL7017226 0.83 AVPR1A (0.45) LMNAMEN1KMT2AAVPR1AAVPR1B
SCHEMBL7019750 0.83 MAPT (0.38) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7020818 0.82 MAPT (0.43) MAPTMEN1KMT2ARAB9AAVPR1A
SCHEMBL7015488 0.82 AVPR1A (0.50) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL7016285 0.81 AVPR1A (0.44) LMNAAVPR1AAVPR1BPDE4DPDE4A
SCHEMBL7020700 0.81 AVPR1A (0.40) LMNAMEN1KMT2ARAB9APOLB

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