SCHEMBL8562567

SCHEMBL8562567

O=C(Nc1ccc(C(=O)N2CCc3cncnc3-c3ccccc32)cc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.48
AVPR1A P37288 8/20 0.48
OXTR P30559 1/20 0.45

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
SCHEMBL8556396 0.94 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8556535 0.92 AVPR1A (0.52) AVPR2AVPR1AOXTR
SCHEMBL8559368 0.85 AVPR1A (0.59) AVPR2AVPR1AOXTR
SCHEMBL8559859 0.85 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL8556714 0.81 ROCK2 (0.43) AVPR2AVPR1A
SCHEMBL8558585 0.79 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL8557290 0.78 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL8820431 0.78 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL8690506 0.77 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL28271843 0.77 RAB9A (0.63) 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 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