SCHEMBL8409134

SCHEMBL8409134

Cc1cc(C(=O)N2Cc3ccnn3Cc3ncccc32)c(C)cc1NC(=O)c1cc(F)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.47
AVPR1A P37288 8/20 0.47
OXTR P30559 2/20 0.44
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
GPR6 P46095 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL8405841 0.89 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL8406610 0.88 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8406431 0.85 AVPR2 (0.63) AVPR2AVPR1AOXTR
SCHEMBL8409710 0.77 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL8408008 0.76 AVPR2 (0.76) AVPR2AVPR1AOXTR
SCHEMBL5739209 0.75 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8407921 0.74 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL7342127 0.73 AVPR2 (0.77) AVPR2AVPR1AOXTR
SCHEMBL8408171 0.69 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL9060789 0.67 AVPR2 (0.53) AVPR2AVPR1A

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 3 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 claimed
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