SCHEMBL15909397

SCHEMBL15909397

O=C(O)CCN1CCc2oc(-c3ccc(OCc4ccccc4F)cc3)nc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 18/20 1.00
S1PR1 P21453 10/20 0.71
S1PR3 Q99500 8/20 0.71
FFAR1 O14842 2/20 0.43

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
SCHEMBL19381620 0.84 S1PR5 (0.72) S1PR5S1PR1S1PR3
SCHEMBL322452 0.83 S1PR5 (1.00) S1PR5S1PR1S1PR3FFAR1
SCHEMBL18550086 0.80 S1PR5 (0.67) S1PR5S1PR1S1PR3FFAR1
SCHEMBL320912 0.79 S1PR5 (0.65) S1PR5S1PR1S1PR3FFAR1
SCHEMBL15164300 0.79 S1PR5 (0.79) S1PR5S1PR1S1PR3FFAR1
SCHEMBL320988 0.78 S1PR5 (1.00) S1PR5S1PR1S1PR3FFAR1
SCHEMBL15909517 0.76 S1PR5 (1.00) S1PR5S1PR1S1PR3FFAR1
SCHEMBL3669682 0.74 S1PR5 (0.72) S1PR5S1PR1S1PR3FFAR1
SCHEMBL18550345 0.74 S1PR5 (0.62) S1PR5S1PR1S1PR3
SCHEMBL18549832 0.73 S1PR5 (0.61) S1PR5S1PR1S1PR3FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US claimed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US claimed
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US disclosed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US disclosed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US disclosed