SCHEMBL8563073

SCHEMBL8563073

CN(C)CC(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.51
AVPR2 P30518 3/20 0.51
NAMPT P43490 1/20 0.49

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
SCHEMBL8560873 0.80 ACHE (0.60) AVPR1AAVPR2NAMPT
SCHEMBL8556372 0.80 KCNJ5 (0.51) AVPR1AAVPR2NAMPT
SCHEMBL8560800 0.78 AVPR2 (0.79) AVPR1AAVPR2
SCHEMBL8557068 0.77 AVPR2 (0.57) AVPR1AAVPR2NAMPT
SCHEMBL8564119 0.77 AVPR2 (0.68) AVPR1AAVPR2
SCHEMBL8560660 0.76 NPC1 (0.54) AVPR1AAVPR2NAMPT
SCHEMBL8555952 0.76 NAMPT (0.51) AVPR1AAVPR2NAMPT
SCHEMBL8559349 0.76 AVPR2 (0.60) AVPR1AAVPR2
SCHEMBL8558993 0.76 AVPR2 (0.65) AVPR1AAVPR2
SCHEMBL8556851 0.76 AVPR2 (0.58) AVPR1AAVPR2

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