SCHEMBL7334076

SCHEMBL7334076

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.68
AVPR1A P37288 13/20 0.68
OXTR P30559 2/20 0.51
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7341288 0.86 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8313809 0.85 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL7333870 0.85 AVPR2 (0.64) AVPR2AVPR1AOXTRNPC1RAB9A
SCHEMBL8316487 0.82 AVPR1A (0.49) AVPR2AVPR1AOXTR
SCHEMBL7332865 0.81 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8318709 0.79 AVPR2 (0.54) AVPR2AVPR1ANPC1RAB9A
SCHEMBL8819612 0.79 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8820611 0.78 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8314766 0.78 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL8314000 0.78 AVPR1A (0.56) AVPR2AVPR1AOXTR

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
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed