SCHEMBL18901482

SCHEMBL18901482

CC(=O)CN(C)Cc1ccc(-c2noc(-c3ccc(-c4ccccc4C)c(C(C)(F)F)c3)n2)cc1F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.71
S1PR3 Q99500 2/20 0.47

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
SCHEMBL18901362 0.89 S1PR1 (0.90) S1PR1S1PR3
SCHEMBL536207 0.89 S1PR1 (0.86) S1PR1S1PR3
SCHEMBL406659 0.86 S1PR1 (0.74) S1PR1S1PR3
SCHEMBL411258 0.86 S1PR1 (0.73) S1PR1S1PR3
SCHEMBL557380 0.84 S1PR1 (0.76) S1PR1S1PR3
SCHEMBL558771 0.83 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL29963194 0.83 S1PR1 (1.00) S1PR1S1PR3
SCHEMBL409059 0.83 S1PR1 (0.63) S1PR1S1PR3
SCHEMBL18901460 0.82 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL320319 0.82 S1PR1 (0.76) S1PR1S1PR3

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