SCHEMBL16290141

SCHEMBL16290141

CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.73
S1PR3 Q99500 13/20 0.73
S1PR4 O95977 1/20 0.59
S1PR5 Q9H228 1/20 0.59

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
Hydrochloric Acid SCHEMBL947401 0.99 S1PR1 (0.73) S1PR1S1PR3S1PR4S1PR5
SCHEMBL947989 0.92 S1PR1 (0.80) S1PR1S1PR3
SCHEMBL16290118 0.91 S1PR1 (0.84) S1PR1S1PR3
Hydrochloric Acid SCHEMBL949682 0.91 S1PR1 (0.77) S1PR1S1PR3
Hydrochloric Acid SCHEMBL950427 0.90 S1PR1 (0.84) S1PR1S1PR3
SCHEMBL949690 0.89 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL676646 0.89 S1PR1 (0.84) S1PR1S1PR3
Hydrochloric Acid SCHEMBL951171 0.88 S1PR1 (0.85) S1PR1S1PR3
SCHEMBL16290125 0.88 S1PR1 (0.80) S1PR1S1PR3
Hydrochloric Acid SCHEMBL951169 0.87 S1PR1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP claimed
EP-1661881-B1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-12-17 EP disclosed