SCHEMBL23699392

SCHEMBL23699392

CC(c1cccc(F)c1)C(CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSS P25774 3/20 0.42
CTSL P07711 2/20 0.42
MGLL Q99685 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CTSK P43235 3/20 0.41
HSD17B10 Q99714 1/20 0.41
SYK P43405 1/20 0.41
CTSB P07858 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL23699389 1.00 CNR2 (0.44) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL23699049 0.88 LMNA (0.50) CYP2C9CYP2C19CTSSCTSLLMNA
SCHEMBL23699046 0.88 LMNA (0.50) CYP2C9CYP2C19CTSSCTSLLMNA
SCHEMBL23699390 0.87 SYK (0.44) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL23699393 0.87 SYK (0.44) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL17825663 0.84 CNR2 (0.47) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL23699376 0.82 CTSS (0.45) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL23699379 0.82 CTSS (0.45) CNR2OPRM1OPRL1CYP2D6CYP2C9
SCHEMBL23699398 0.81 LMNA (0.45) CTSSCTSLLMNASMN1; SMN2ALDH1A1
SCHEMBL23699400 0.81 LMNA (0.45) CTSSCTSLLMNASMN1; SMN2ALDH1A1

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-3858439-A1 AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2021-08-04 EP disclosed