SCHEMBL1716987

SCHEMBL1716987

N#CCc1ccc(Cl)nc1OCCCl

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.31
CD274 Q9NZQ7 2/20 0.31

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
SCHEMBL29599530 0.79 PDCD1LG2 (0.43) PDCD1LG2CD274
SCHEMBL20719692 0.79 PDCD1LG2 (0.43) PDCD1LG2CD274
SCHEMBL9900615 0.73 CYP2A6 (0.33)
SCHEMBL31361151 0.73 CYP2A6 (0.33)
SCHEMBL29549624 0.72 CYP2A6 (0.35)
SCHEMBL837132 0.72 CYP2A6 (0.35)
SCHEMBL24108192 0.71 CYP2A6 (0.34)
SCHEMBL31373503 0.71 CYP2A6 (0.34)
SCHEMBL23104533 0.64 NPSR1 (0.39)
SCHEMBL2526968 0.64 L3MBTL1 (0.48)

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
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP disclosed