SCHEMBL8558648

SCHEMBL8558648

Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.56
AVPR1A P37288 8/20 0.56

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
SCHEMBL8317809 0.85 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL8564269 0.85 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8563435 0.83 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL7343092 0.83 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8561645 0.78 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8316806 0.77 AVPR2 (0.74) AVPR2AVPR1A
SCHEMBL8314151 0.77 AVPR2 (0.77) AVPR2AVPR1A
SCHEMBL7335817 0.76 RAB9A (0.50)
SCHEMBL8316647 0.76 PYGL (0.54)
SCHEMBL8557607 0.75 NPC1 (0.50) 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