SCHEMBL8313809

SCHEMBL8313809

O=C(Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.69
AVPR1A P37288 13/20 0.69
OXTR P30559 1/20 0.46
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NPY2R P49146 1/20 0.41

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
SCHEMBL7334076 0.85 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8316487 0.84 AVPR1A (0.49) AVPR2AVPR1AOXTR
SCHEMBL7333870 0.83 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL7341288 0.82 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8313051 0.81 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8318107 0.76 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8314568 0.75 AVPR1A (0.58) AVPR2AVPR1A
SCHEMBL8315247 0.74 NPSR1 (0.44) AVPR2AVPR1ALMNATP53
SCHEMBL8318709 0.74 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL8314641 0.74 AVPR2 (0.88) 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
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed