SCHEMBL9567968

SCHEMBL9567968

NC(=O)C(CC(c1ccccc1)c1ccccc1)C1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.49
MTNR1B P49286 1/20 0.43
ECE1 P42892 5/20 0.41
HTT P42858 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9567950 0.89 TRPM8 (0.48) TRPM8MTNR1BECE1HTTALDH1A1
SCHEMBL5198565 0.83 TRPM8 (0.44) TRPM8ECE1HTTALDH1A1
SCHEMBL2406499 0.83 HTT (0.45) TRPM8ECE1HTTALDH1A1
SCHEMBL9048929 0.80 TDP1 (0.36) TRPM8ALDH1A1TDP1
SCHEMBL9568075 0.79 TRPM8 (0.48) TRPM8MTNR1BHTTALDH1A1
SCHEMBL9048942 0.78 PTGIR (0.55)
SCHEMBL9048934 0.78 PTGIR (0.39) TDP1
SCHEMBL8802816 0.76 TSHR (0.50) ECE1HTTHAO1ALDH1A1
SCHEMBL9568004 0.76 TRPM8 (0.48) TRPM8HTTHAO1ALDH1A1
SCHEMBL27385115 0.75 TRPM8 (0.43) TRPM8ECE1

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