SCHEMBL20159169

SCHEMBL20159169

CCN1N=C(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.39
TP53 P04637 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL20159442 0.85 NAMPT (0.40) NAMPT
SCHEMBL20159185 0.85 NAMPT (0.46) NAMPT
SCHEMBL20159540 0.83 NAMPT (0.38) NAMPTROCK2
SCHEMBL20142989 0.83 NAMPT (0.38) NAMPTROCK2
SCHEMBL20138884 0.83 NAMPT (0.38) NAMPTROCK2
SCHEMBL20159433 0.80 NAMPT (0.59) NAMPT
SCHEMBL20159251 0.76 NAMPT (0.39) NAMPTROCK2
SCHEMBL10770760 0.75 CYP1A2 (0.53) TP53
SCHEMBL20159147 0.74 NAMPT (0.39) NAMPTROCK2
SCHEMBL20159253 0.74 NAMPT (0.39) NAMPTROCK2

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
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed