SCHEMBL2451749

SCHEMBL2451749

NCCc1cccc(Br)c1.O=C(O)CCN1CCc2cc(-c3cc4cc(Cc5ccccc5)ccc4o3)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.44
FFAR1 O14842 9/20 0.44
S1PR3 Q99500 4/20 0.43
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KCNH2 Q12809 1/20 0.38
S1PR5 Q9H228 1/20 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
SCHEMBL1602329 0.89 S1PR1 (0.53) S1PR1FFAR1S1PR3KCNH2S1PR5
SCHEMBL2451751 0.84 S1PR1 (0.42) S1PR1FFAR1S1PR3PRMT5WDR77
SCHEMBL12785247 0.79 S1PR1 (0.47) S1PR1FFAR1S1PR3KCNH2
SCHEMBL1603344 0.79 S1PR1 (0.47) S1PR1FFAR1S1PR3KCNH2S1PR5
SCHEMBL1602525 0.77 S1PR1 (0.46) S1PR1FFAR1S1PR3PRMT5WDR77
SCHEMBL12706824 0.76 S1PR1 (0.45) S1PR1FFAR1S1PR3S1PR5
SCHEMBL1603020 0.73 S1PR1 (0.52) S1PR1FFAR1S1PR3PRMT5WDR77
SCHEMBL1601693 0.71 S1PR1 (0.54) S1PR1S1PR3S1PR5
SCHEMBL12319188 0.69 S1PR1 (0.41) S1PR1FFAR1S1PR3S1PR5
SCHEMBL1602801 0.69 S1PR1 (0.47) S1PR1FFAR1S1PR3PRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364976-B1 S1P receptor modulating compounds and use thereof EPIX PHARM INC (US) 2014-10-08 EP disclosed
EP-2364976-A1 S1P receptor modulating compounds and use thereof EPIX Pharmaceuticals, Inc. (US) 2011-09-14 EP disclosed