SCHEMBL8559764

SCHEMBL8559764

Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.73
AVPR1A P37288 6/20 0.73
OXTR P30559 2/20 0.59

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
SCHEMBL8558030 0.90 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL7333957 0.88 AVPR2 (0.70) AVPR2AVPR1AOXTR
SCHEMBL8561006 0.88 AVPR2 (0.75) AVPR2AVPR1AOXTR
SCHEMBL7335324 0.84 AVPR2 (1.00) AVPR2AVPR1AOXTR
SCHEMBL8556852 0.83 AVPR1A (0.59) AVPR2AVPR1AOXTR
SCHEMBL8559866 0.83 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL8558733 0.82 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL8561617 0.81 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8407867 0.81 AVPR2 (0.67) AVPR2AVPR1AOXTR
SCHEMBL8557112 0.80 AVPR2 (0.59) 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