SCHEMBL18901458

SCHEMBL18901458

Cc1cc(-c2noc(-c3ccc(-c4ccccc4C(C)(F)F)c(Cl)c3)n2)ccc1CN(C)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.56
S1PR3 Q99500 6/20 0.41
S1PR5 Q9H228 3/20 0.38

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
SCHEMBL18901460 0.92 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL18901359 0.88 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL558111 0.86 S1PR1 (0.68) S1PR1S1PR3S1PR5
SCHEMBL536560 0.85 S1PR1 (0.75) S1PR1S1PR3
SCHEMBL536259 0.85 S1PR1 (0.72) S1PR1S1PR3S1PR5
SCHEMBL18901348 0.84 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL10170550 0.84 S1PR1 (0.59) S1PR1S1PR3S1PR5
SCHEMBL10170571 0.84 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL10170274 0.82 S1PR1 (0.52) S1PR1S1PR3S1PR5
SCHEMBL557380 0.82 S1PR1 (0.76) S1PR1S1PR3S1PR5

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