SCHEMBL8557088

SCHEMBL8557088

Cc1sccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CNc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.48
AVPR2 P30518 4/20 0.48
NAMPT P43490 1/20 0.43
AVPR1B P47901 1/20 0.42
OXTR P30559 1/20 0.42
GRM1 Q13255 1/20 0.42

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
SCHEMBL8558783 0.86 PKM (0.50) AVPR1AAVPR2NAMPTAVPR1BGRM1
SCHEMBL8559901 0.86 AVPR2 (0.63) AVPR1AAVPR2OXTR
SCHEMBL8560108 0.84 AVPR2 (0.38) AVPR1AAVPR2
SCHEMBL8558298 0.83 AVPR2 (0.55) AVPR1AAVPR2OXTR
SCHEMBL8557610 0.83 MAPT (0.52) AVPR1AAVPR2
SCHEMBL8557111 0.83 AVPR2 (0.49) AVPR1AAVPR2OXTR
SCHEMBL8562420 0.82 AVPR2 (0.46) AVPR1AAVPR2
SCHEMBL8560617 0.82 AVPR1A (0.49) AVPR1AAVPR2AVPR1B
SCHEMBL8557883 0.82 MEN1 (0.50) AVPR1AAVPR2NAMPT
SCHEMBL8557390 0.82 AVPR2 (0.52) AVPR1AAVPR2OXTR

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
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed