SCHEMBL7017226

SCHEMBL7017226

COc1cc(C(=O)N2CCCC(=O)c3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.45
AVPR1B P47901 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
AVPR2 P30518 7/20 0.42
LMNA P02545 1/20 0.40
BRPF1 P55201 2/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL7016285 0.92 AVPR1A (0.44) AVPR1AAVPR1BPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7018912 0.92 AVPR1A (0.44) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7018124 0.89 RPS6KA3 (0.42) AVPR1AAVPR1BAVPR2LMNAMEN1
SCHEMBL7019987 0.88 PDE4A (0.53) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7019167 0.88 AVPR2 (0.42) AVPR1AAVPR1BPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7024085 0.87 AVPR2 (0.42) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7017240 0.86 PDE4A (0.50) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7022859 0.85 BRD4 (0.47) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7015488 0.85 AVPR1A (0.50) AVPR1AAVPR1BPDE4APDE4BPDE4C
SCHEMBL7020818 0.85 MAPT (0.43) AVPR1AAVPR1BPDE4APDE4BPDE4C

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