SCHEMBL8409229

SCHEMBL8409229

Cc1cc(NC(=O)c2cccc(F)c2C)ccc1C(=O)N1Cc2cccn2Cc2ncccc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.66
AVPR1A P37288 13/20 0.66
OXTR P30559 1/20 0.51

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
SCHEMBL8409710 0.89 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL8407921 0.82 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL8408008 0.81 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL7332865 0.79 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8313271 0.78 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8405841 0.77 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL7338085 0.76 AVPR2 (0.84) AVPR2AVPR1AOXTR
SCHEMBL8409578 0.75 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL7335432 0.75 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL7339348 0.73 AVPR2 (0.86) 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 1 patent. 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