SCHEMBL472337

SCHEMBL472337

Nc1cccc2c1CC(CO[C@H](C(=O)O)c1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.39
NPY1R P25929 1/20 0.36
NPY5R Q15761 1/20 0.36
SLC18A3 Q16572 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL472338 1.00 PTGIR (0.39) PTGIRNPY1RNPY5RSLC18A3CHRM2
SCHEMBL472494 0.78 CA1 (0.43) PTGIRPPARG
SCHEMBL472492 0.78 CA1 (0.43) PTGIRPPARG
SCHEMBL19183218 0.76 SLC1A3 (0.45) PTGIR
SCHEMBL23059594 0.72 CHRM2 (0.39) CHRM2CHRM1CHRM3
SCHEMBL24191927 0.72 CHRM2 (0.39) CHRM2CHRM1CHRM3
SCHEMBL5129065 0.72 TRPV1 (0.41) NPY1RNPY5RSLC18A3CHRM2CHRM1
SCHEMBL205316 0.67 SLC18A3 (0.44) SLC18A3CHRM2CHRM1CHRM3
SCHEMBL287422 0.67 SLC18A3 (0.44) SLC18A3CHRM2CHRM1CHRM3
SCHEMBL299965 0.67 SLC18A3 (0.44) SLC18A3CHRM2CHRM1CHRM3

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-2412372-A1 2-Aminooxazole derivatives for use as TRPV1 antagonists for treating i.a. pain, inflammation, neurodegenerative diseases or gastrointestinal diseases Abbott Laboratories (US) 2012-02-01 EP disclosed
US-7998993-B2 TRPV1 antagonists ABBOTT LABORATORIES (US) 2011-08-16 US disclosed