SCHEMBL8557743

SCHEMBL8557743

COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.64
AVPR1A P37288 8/20 0.64
ACHE P22303 2/20 0.55
GPR27 Q9NS67 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
SCHEMBL8557374 0.95 AVPR2 (0.58) AVPR2AVPR1AACHEGPR27
SCHEMBL8563728 0.90 AVPR2 (0.55) AVPR2AVPR1AACHE
SCHEMBL8561595 0.90 ACHE (0.61) AVPR2AVPR1AACHE
SCHEMBL8563344 0.88 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8558027 0.85 AVPR2 (0.69) AVPR2AVPR1A
SCHEMBL7334988 0.85 AVPR2 (0.79) AVPR2AVPR1A
SCHEMBL8562909 0.84 ACHE (0.52) AVPR2AVPR1AACHE
SCHEMBL8558377 0.83 NAMPT (0.54) AVPR2AVPR1AACHE
SCHEMBL8561097 0.83 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8559006 0.83 AVPR2 (0.75) AVPR2AVPR1AACHE

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