SCHEMBL4018846

SCHEMBL4018846

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)C2CNC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 15/20 0.36
MC4R P32245 4/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4024700 0.91 MGLL (0.35) MGLLKCNH2
SCHEMBL4805380 0.89 MGLL (0.39) MGLL
SCHEMBL4751652 0.89 MGLL (0.39) MGLL
SCHEMBL4805388 0.89 MGLL (0.39) MGLL
SCHEMBL4749182 0.89 MGLL (0.39) MGLL
SCHEMBL4749224 0.87 OPRM1 (0.35) MGLL
SCHEMBL4749242 0.87 OPRM1 (0.35) MGLL
SCHEMBL4028913 0.87 MC4R (0.30) MGLLMC4RKCNH2
SCHEMBL4019244 0.87 MGLL (0.41) MGLL
SCHEMBL4751656 0.86 SLC2A1 (0.36) MGLL

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
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed