SCHEMBL23748779

SCHEMBL23748779

CC(C)(C)N1CC(O)(c2cccc(Cl)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
OPRM1 P35372 3/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 8/20 0.41
SLC6A3 Q01959 8/20 0.41
SLC6A4 P31645 7/20 0.41
CHRNA1 P02708 6/20 0.41
CHRNB1 P11230 6/20 0.41
CHRNB2 P17787 6/20 0.41
CHRNB4 P30926 6/20 0.41
CHRNA3 P32297 6/20 0.41
CHRNA4 P43681 6/20 0.41
CHRNG P07510 4/20 0.41
CHRND Q07001 4/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 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
SCHEMBL17886590 0.86 OPRL1 (0.50) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL18115648 0.79 ALDH1A1 (0.58) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL1155345 0.79 OPRM1 (0.50) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2463684 0.76 DRD2 (0.36) CCR1ALDH1A1SLC6A2SLC6A4DRD2
SCHEMBL21826203 0.76 STS (0.47) SMN1; SMN2GRIN2B
SCHEMBL31125398 0.76 STS (0.47) SMN1; SMN2GRIN2B
SCHEMBL28323043 0.75 SLC6A3 (0.50) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL27681431 0.75 SLC6A4 (0.54) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL11560742 0.75 OPRD1 (0.52) CCR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL22209906 0.74 SLC6A3 (0.43) CCR1SLC6A2SLC6A3SLC6A4CHRNA1

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-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed