SCHEMBL18901339

SCHEMBL18901339

Cc1cc(CN(C)CC=O)ccc1-c1noc(-c2ccc(-c3ccccc3C)c(C(F)(F)F)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.58
S1PR5 Q9H228 4/20 0.49
S1PR3 Q99500 4/20 0.49

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
SCHEMBL536680 0.88 S1PR1 (0.64) S1PR1S1PR5S1PR3
SCHEMBL18901483 0.85 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL18901338 0.83 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL18901454 0.82 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL558227 0.81 S1PR1 (0.68) S1PR1S1PR5S1PR3
SCHEMBL536610 0.81 S1PR1 (0.61) S1PR1S1PR5S1PR3
SCHEMBL18901357 0.80 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL410702 0.79 S1PR1 (0.59) S1PR1S1PR5S1PR3
SCHEMBL10170521 0.79 NR1H4 (0.54) S1PR1S1PR5S1PR3
SCHEMBL558070 0.79 S1PR1 (0.67) S1PR1S1PR5S1PR3

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-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed