SCHEMBL2358013

SCHEMBL2358013

CCC(c1ncc[nH]1)n1c(C)c(C(=O)O)c2c([C@@H](c3cccc(F)c3C(N)=O)C3CCC3)ccc(F)c2c1=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 6/20 0.32

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
SCHEMBL2357653 0.87 CYP2C9 (0.34)
SCHEMBL2359567 0.81
SCHEMBL2358639 0.79
SCHEMBL2357787 0.77 F2RL1 (0.39) F2RL1
SCHEMBL2313391 0.77 S1PR3 (0.34)
SCHEMBL2356247 0.74 MAPT (0.31)
SCHEMBL2311690 0.74 GNRHR (0.35)
SCHEMBL2308354 0.73 S1PR3 (0.33)
SCHEMBL3241562 0.73 EPHX1 (0.30)
SCHEMBL2313425 0.72 GNRHR (0.39)

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-2350015-A1 ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS H. Lundbeck A/S (DK) 2011-08-03 EP disclosed