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SCHEMBL6692540

SCHEMBL6692540

O=C(C[C@H]1CCc2c1[nH]c1ccc(F)cc21)ON(C1CCCCC1)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 12/20 0.48
▸ S1PR4 O95977 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ BRD3 Q15059 6/20 0.46
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ MAPKAPK2 P49137 1/20 0.44

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
SCHEMBL4105569 0.80 KMT2A (0.52) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL29141416 0.79 S1PR1 (0.59) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL30762338 0.79 S1PR1 (0.59) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL5421567 0.79 S1PR1 (0.59) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL5088953 0.79 S1PR1 (0.59) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL6692543 0.78 S1PR1 (0.53) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL9019716 0.76 BRD3 (0.55) S1PR1BRD3HTR2AHTR2CMAPKAPK2
SCHEMBL9019672 0.75 BRD3 (0.60) S1PR1S1PR4ADORA3S1PR5BRD3
SCHEMBL4286757 0.73 HTR2A (0.52) BRD3HTR2AHTR2CMAPKAPK2
SCHEMBL4104217 0.72 HTR2A (0.62) BRD3HTR2AHTR2CMAPKAPK2

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
WO-2004104205-A2 ENZYMATIC PREPARATION OF CHIRAL INDOLE ESTERS MERCK & CO., INC. (US) 2004-12-02 — — WO claimed