SCHEMBL7023914

SCHEMBL7023914

COC(=O)c1ccc(C(=O)N2CCC(Br)C(=O)c3ccccc32)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
SPTLC2 O15270 4/20 0.43
ROCK2 O75116 1/20 0.43
PDCD1 Q15116 7/20 0.42
CD274 Q9NZQ7 7/20 0.42
SPTLC3 Q9NUV7 1/20 0.41
AVPR1A P37288 2/20 0.41
AVPR1B P47901 2/20 0.41
LMNA P02545 1/20 0.41
AVPR2 P30518 1/20 0.40

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
SCHEMBL7019627 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL7015298 0.80 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL1495850 0.78 ALDH1A1 (0.49) LMNA
SCHEMBL7019784 0.78 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL7021672 0.77 BRD4 (0.59) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL7024013 0.75 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7019383 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DROCK2
SCHEMBL5549168 0.74 BRD4 (0.47) PDCD1CD274AVPR1AAVPR2
SCHEMBL7023245 0.74 NOTUM (0.49) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL7017182 0.73 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDCD1

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