SCHEMBL20159253

SCHEMBL20159253

CC1(C)CC(c2ccc(NC(=O)N3Cc4ccc(N)nc4C3)cc2)=NNC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.39
ROCK2 O75116 8/20 0.39
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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 0.83 NAMPT (0.39) NAMPTROCK2HDAC1HDAC2
SCHEMBL20159442 0.81 NAMPT (0.40) NAMPTHDAC1HDAC2
SCHEMBL20159136 0.80 NAMPT (0.37) NAMPTROCK2HDAC1HDAC2
SCHEMBL22923600 0.80 ROCK2 (0.54) NAMPTROCK2
SCHEMBL20159169 0.74 NAMPT (0.39) NAMPTROCK2
SCHEMBL10518939 0.74 PDE3B (0.48) KCNH2HRH3
SCHEMBL20159147 0.70 NAMPT (0.39) NAMPTROCK2TAS1R3TAS1R1TAS1R2
SCHEMBL20159540 0.69 NAMPT (0.38) NAMPTROCK2
SCHEMBL20138884 0.69 NAMPT (0.38) NAMPTROCK2
SCHEMBL20142989 0.69 NAMPT (0.38) 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