SCHEMBL9020703

SCHEMBL9020703

CCc1ccccc1C(CC)NC(=O)CCn1cnc(CC#N)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
CPB2 Q96IY4 7/20 0.31
CPB1 P15086 3/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7877324 0.75 CASR (0.33) HPGDHTTCPB2CPB1TP53
SCHEMBL9020870 0.67 CPB2 (0.41) CPB2CPB1
SCHEMBL9097894 0.66 CPB2 (0.42) CPB2CPB1
SCHEMBL13684790 0.63 CPB2 (0.38) CPB2CPB1
SCHEMBL24066843 0.62 RIPK1 (0.42) HPGDALDH1A1MAPK1LMNA
SCHEMBL9020652 0.61 ALDH1A1 (0.40) HPGDHTTALDH1A1LMNATHRB
SCHEMBL8284300 0.59 CYP3A4 (0.39) HTTALDH1A1
SCHEMBL8652871 0.59 CASR (0.31) ALDH1A1
SCHEMBL3406306 0.58 TSHR (0.49) HPGDHTTALDH1A1MAPK1
SCHEMBL3408208 0.58 TSHR (0.49) HPGDHTTALDH1A1MAPK1

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-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed