SCHEMBL21369945

SCHEMBL21369945

C=Cc1ccc2c(c1)CCC1(C)C2=NOC1(OC)c1onc(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL1810490 0.76 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL21369947 0.73 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL1811593 0.72 S1PR1 (0.60) S1PR1S1PR3
SCHEMBL12000567 0.67 FLT3 (0.31)
SCHEMBL1813503 0.66 S1PR1 (0.59) S1PR1S1PR3
SCHEMBL1812347 0.65 S1PR1 (0.36) S1PR1S1PR3
SCHEMBL12000568 0.63 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL1812059 0.63 S1PR1 (0.62) S1PR1S1PR3
SCHEMBL1815321 0.59 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL1811502 0.59 S1PR1 (0.58) 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-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed