SCHEMBL8558085

SCHEMBL8558085

Cc1cc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc(C)c1NC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.61
AVPR1A P37288 10/20 0.61
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8561403 0.86 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL8563344 0.85 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8559486 0.82 AVPR2 (0.71) AVPR2AVPR1A
SCHEMBL8559006 0.81 AVPR2 (0.75) AVPR2AVPR1AALDH1A1
SCHEMBL8562554 0.80 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8558900 0.79 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8562180 0.77 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8558027 0.77 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL8561645 0.77 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8557043 0.77 AVPR2 (0.72) 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