SCHEMBL8558166

SCHEMBL8558166

Cc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.57
AVPR1A P37288 6/20 0.57
OXTR P30559 1/20 0.50

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
SCHEMBL8562629 0.91 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL8558605 0.90 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL8563299 0.90 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8559251 0.89 AVPR2 (0.68) AVPR2AVPR1AOXTR
SCHEMBL8820812 0.89 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8556570 0.88 AVPR2 (0.56) AVPR2AVPR1A
SCHEMBL7331858 0.85 AVPR2 (0.58) AVPR2AVPR1AOXTR
SCHEMBL8559312 0.85 AVPR1A (0.55) AVPR2AVPR1A
SCHEMBL8563239 0.85 AVPR2 (0.66) AVPR2AVPR1AOXTR
SCHEMBL8563255 0.85 AVPR2 (0.59) 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 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