SCHEMBL7339596

SCHEMBL7339596

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1Cc2ccc(C(=O)C(F)(F)F)n2Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.49
AVPR1A P37288 4/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
OXTR P30559 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
SCHEMBL7332088 0.92 AVPR2 (0.50) AVPR2AVPR1AMAPTMEN1KMT2A
SCHEMBL8315803 0.89 AVPR2 (0.46) AVPR2AVPR1AMAPTNPC1LMNA
SCHEMBL27405027 0.89 AVPR2 (0.61) AVPR2AVPR1AMAPTMEN1KMT2A
SCHEMBL7331634 0.85 AVPR1A (0.46) AVPR2AVPR1AMAPTMEN1KMT2A
SCHEMBL7339252 0.83 AVPR2 (0.49) AVPR2AVPR1AMAPTMEN1KMT2A
SCHEMBL8315244 0.82 MEN1 (0.47) AVPR2AVPR1AMAPTMEN1KMT2A
SCHEMBL15216916 0.78 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL7332051 0.78 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL7333588 0.77 AVPR2 (0.47) AVPR2AVPR1AMAPTMEN1KMT2A
SCHEMBL8564569 0.77 MAPT (0.48) AVPR2AVPR1AMAPTMEN1KMT2A

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
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed