SCHEMBL9568027

SCHEMBL9568027

NC(=O)C(N=C(c1ccccc1)c1ccccc1)C1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.46
HSD11B1 P28845 4/20 0.40
HTT P42858 1/20 0.39
PIN1 Q13526 1/20 0.35
IDO1 P14902 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL9568023 0.92 TRPM8 (0.48) TRPM8HSD11B1HTTIDO1
SCHEMBL31757646 0.82 MEN1 (0.39)
SCHEMBL9567947 0.79 TRPM8 (0.39) TRPM8HSD11B1
SCHEMBL9047093 0.77 TRPM8 (0.35) TRPM8HTT
SCHEMBL9046353 0.77 PTGIR (0.53)
SCHEMBL9046342 0.77 PTGIR (0.38) TRPM8
SCHEMBL7121537 0.75 TRPM8 (0.46) TRPM8HSD11B1HTTPIN1IDO1
SCHEMBL19348013 0.75 HTT (0.43) TRPM8HTT
SCHEMBL17335654 0.73 TRPM8 (0.44) TRPM8HSD11B1PIN1IDO1
SCHEMBL15882481 0.73 TRPM8 (0.44) TRPM8HSD11B1PIN1IDO1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed