SCHEMBL27775372

SCHEMBL27775372

CCc1cc(-c2nc(-c3cc(C)c(OCC(C)C)c(CC)c3)no2)cnc1CC

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.64
S1PR3 Q99500 17/20 0.64

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
SCHEMBL3728470 0.89 S1PR1 (0.61) S1PR1S1PR3
SCHEMBL3738576 0.88 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3738569 0.88 S1PR1 (0.68) S1PR1S1PR3
SCHEMBL3731720 0.87 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL3731716 0.87 S1PR1 (0.64) S1PR1S1PR3
SCHEMBL3730622 0.86 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL27869736 0.86 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL3737056 0.86 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL3737049 0.86 S1PR1 (0.70) S1PR1S1PR3
SCHEMBL3732937 0.85 S1PR1 (0.67) 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
CN-101522670-A Pyridin-3-yl derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed