Phenylacetic Acid

Phenylacetic Acid

SCHEMBL27799591

O=C(O)Cc1ccccc1.O=C1C(Cl)Nc2ccccc2N1C1CCN(C2CCCCCCC2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.51
OPRK1 P41145 8/20 0.51
OPRD1 P41143 3/20 0.51
OGFRL1 Q5TC84 2/20 0.51
OPRL1 P41146 10/20 0.50
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ENPP2 Q13822 1/20 0.43
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL854436 0.74 OPRM1 (0.40) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL20229794 0.73 OPRM1 (0.73) OPRM1OPRK1OPRD1OGFRL1OPRL1
Phenylacetic Acid SCHEMBL27769912 0.72 KDM4E (0.60) OPRM1OPRK1OPRD1KDM4EALDH1A1
SCHEMBL27799590 0.72 ALDH1A1 (0.38) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL20229840 0.70 OPRM1 (0.71) OPRM1OPRK1OPRD1OGFRL1OPRL1
Phenylacetic Acid SCHEMBL27769932 0.69 OPRL1 (0.77) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL20230157 0.69 OPRM1 (0.78) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL853891 0.68 OPRM1 (1.00) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL1272305 0.68 OPRL1 (0.70) OPRM1OPRK1OPRD1OGFRL1OPRL1
SCHEMBL20230162 0.67 OPRM1 (0.74) OPRM1OPRK1OPRD1OGFRL1OPRL1

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
CN-101878208-B Substituted-quinoxaline-type-piperidine compounds and the uses thereof PURDUE PHARMA L.P. (US) 2014-10-15 CN disclosed
CN-101878208-A Quinoxaline-type-piperidine compounds that replaces and uses thereof PURDUE PHARMA LP 2010-11-03 CN disclosed