SCHEMBL15418069

SCHEMBL15418069

CC1(C(=O)O)CCN(CC(=O)N2CCc3c(n(Cc4ccc(C(F)(F)F)s4)c4ccccc34)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 9/20 0.61
▸ PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL14890954 0.88 ENPP2 (0.70) ENPP2
SCHEMBL12697502 0.88 ENPP2 (0.79) ENPP2
SCHEMBL17907602 0.79 ENPP2 (0.74) ENPP2
SCHEMBL17907821 0.79 ENPP2 (0.70) ENPP2
SCHEMBL17907720 0.76 ENPP2 (0.71) ENPP2
SCHEMBL12697560 0.76 ENPP2 (1.00) ENPP2
SCHEMBL17907777 0.76 ENPP2 (0.69) ENPP2
SCHEMBL14891611 0.76 ENPP2 (0.79) ENPP2PTGDR2
Hydrochloric Acid SCHEMBL14892383 0.75 ENPP2 (0.78) ENPP2PTGDR2
SCHEMBL14891802 0.73 ENPP2 (0.72) ENPP2

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-2687531-A1 TETRAHYDROCARBOLINE DERIVATIVE ONO Pharmaceutical Co., Ltd. (JP) 2014-01-22 — — EP disclosed
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