SCHEMBL462318

SCHEMBL462318

Cc1ccnc(C2CN(Cc3ccccc3)CC2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 7/20 0.44
S1PR1 P21453 5/20 0.43
RORC P51449 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
CCR5 P51681 1/20 0.40
MC4R P32245 1/20 0.40
USP30 Q70CQ3 1/20 0.39
CYP2D6 P10635 1/20 0.39
FUCA1 P04066 2/20 0.39

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
SCHEMBL462319 1.00 S1PR5 (0.44) S1PR5S1PR1RORCALDH1A1CHRM4
SCHEMBL463264 0.88 USP30 (0.51) S1PR5ALDH1A1CHRM4USP30
SCHEMBL463263 0.88 USP30 (0.51) S1PR5ALDH1A1CHRM4USP30
SCHEMBL1895760 0.80 CCR5 (0.57) S1PR5S1PR1RORCALDH1A1CCR5
SCHEMBL1894610 0.78 RORC (0.60) S1PR5S1PR1RORCALDH1A1MC4R
SCHEMBL9925995 0.78 RORC (0.60) S1PR5S1PR1RORCALDH1A1MC4R
SCHEMBL463216 0.78 KMT2A (0.46) CHRM4
SCHEMBL461319 0.78 KMT2A (0.46) CHRM4
SCHEMBL731368 0.76 ALDH1A1 (0.47) S1PR5S1PR1RORCALDH1A1MC4R
SCHEMBL12303485 0.76 RORC (0.64) S1PR5S1PR1RORCCCR5FUCA1

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed