SCHEMBL8562914

SCHEMBL8562914

O=C(Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
AVPR1A P37288 2/20 0.49
BCAT2 O15382 1/20 0.49

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
SCHEMBL8690506 0.87 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8563019 0.87 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL7340204 0.86 AVPR1A (0.55) AVPR2AVPR1A
SCHEMBL8563516 0.86 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL7339339 0.84 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL7340205 0.84 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL7334954 0.83 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL7340029 0.83 AVPR2 (0.50) AVPR2AVPR1A
SCHEMBL7341443 0.83 AVPR2 (0.57) AVPR2MEN1NPC1RAB9AKMT2A
SCHEMBL7331858 0.81 AVPR2 (0.58) 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 2 patents. 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
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed