SCHEMBL8910672

SCHEMBL8910672

N[C@@H](Cc1ccc(F)cc1)[C@@H](O)[C@@H](O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
CPA1 P15085 1/20 0.41
DPP4 P27487 6/20 0.38
DPP7 Q9UHL4 3/20 0.38
FAP Q12884 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL7283349 0.83 SLC15A1 (0.44)
SCHEMBL27356477 0.83 SLC15A1 (0.44)
SCHEMBL7340739 0.76 EPHX1 (0.47) TRPA1
SCHEMBL7426334 0.75 TRPA1 (0.44) TRPA1CPA1DPP4DPP7FAP
SCHEMBL6168501 0.75 DPP4 (0.44) TRPA1CPA1DPP4DPP7DPP8
SCHEMBL28128396 0.72 TRPA1 (0.58) TRPA1LOXL2
SCHEMBL1239401 0.70 TRPA1 (0.50) TRPA1CPA1DPP4DPP7LOXL2
SCHEMBL27682472 0.70 TRPA1 (0.50) TRPA1CPA1DPP4DPP7LOXL2
SCHEMBL5749249 0.70 TRPA1 (0.47) TRPA1LOXL2
SCHEMBL28034061 0.70 TRPA1 (0.47) TRPA1CPA1DPP4DPP7LOXL2

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
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 EP disclosed