SCHEMBL8559486

SCHEMBL8559486

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.71
AVPR1A P37288 12/20 0.71
OXTR P30559 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL8563344 0.91 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8557043 0.88 AVPR2 (0.72) AVPR2AVPR1AOXTR
SCHEMBL7336291 0.86 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8562554 0.86 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8563435 0.84 AVPR2 (0.74) AVPR2AVPR1AOXTR
SCHEMBL8562180 0.82 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8558027 0.82 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL8558085 0.82 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL7333030 0.82 AVPR2 (0.74) AVPR2AVPR1AOXTR
SCHEMBL8558900 0.80 AVPR2 (0.65) AVPR2AVPR1AMEN1KMT2A

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