SCHEMBL8560580

SCHEMBL8560580

COc1cc(C(=O)N2Cc3ccccc3Cc3ccccc32)ccc1NC(=O)c1ccccc1C

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.56
AVPR1A P37288 5/20 0.56
ALDH1A1 P00352 1/20 0.53
OXTR P30559 1/20 0.48
AVPR1B P47901 1/20 0.47

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
SCHEMBL8557275 0.90 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8559006 0.85 AVPR2 (0.75) AVPR2AVPR1AALDH1A1
SCHEMBL8317076 0.85 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8556252 0.83 NAMPT (0.63) AVPR2AVPR1AALDH1A1
SCHEMBL8560800 0.82 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL8561403 0.81 AVPR2 (0.60) AVPR2AVPR1AOXTR
SCHEMBL8558857 0.81 HPGD (0.57) ALDH1A1
SCHEMBL8562010 0.78 AVPR2 (0.64) AVPR2AVPR1AOXTR
SCHEMBL8562598 0.78 PDE4A (0.54) AVPR2AVPR1AALDH1A1
SCHEMBL8562633 0.78 AVPR2 (0.55) AVPR2AVPR1AOXTR

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