SCHEMBL20159136

SCHEMBL20159136

CC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NN(C2CC2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 18/20 0.37
ROCK2 O75116 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL20159251 0.88 NAMPT (0.39) NAMPTROCK2HDAC1HDAC2
SCHEMBL20159442 0.85 NAMPT (0.40) NAMPTHDAC1HDAC2
SCHEMBL20159219 0.81 NAMPT (0.52) NAMPT
SCHEMBL20159253 0.80 NAMPT (0.39) NAMPTROCK2HDAC1HDAC2
SCHEMBL20159742 0.78 NAMPT (0.36) NAMPTROCK2
SCHEMBL20146344 0.78 NAMPT (0.53) NAMPT
SCHEMBL20159178 0.76 NAMPT (0.56) NAMPT
SCHEMBL20159128 0.74 NAMPT (0.38) NAMPTROCK2
SCHEMBL20159169 0.73 NAMPT (0.39) NAMPTROCK2
SCHEMBL20142933 0.72 PDE4B (0.45)

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