SCHEMBL27699646

SCHEMBL27699646

CC(C(=O)O)C1(c2ccccc2)CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
OPRD1 P41143 2/20 0.48
SLC22A1 O15245 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRK1 P41145 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.42
DRD2 P14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HSD17B10 Q99714 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 2/20 0.40
LMNA P02545 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39

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
SCHEMBL14899045 0.83 AKR1C1 (0.48) OPRM1SLC6A4ALDH1A1KMT2A
SCHEMBL9378568 0.81 OPRM1 (0.49) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL22479057 0.81 OPRM1 (0.52) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL27742157 0.75 AKR1C1 (0.42) OPRM1OPRD1SLC6A4OPRK1ALDH1A1
SCHEMBL24691526 0.75 OPRM1 (0.46) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL9384128 0.74 OPRM1 (0.48) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL16015556 0.74 OPRM1 (0.43) OPRM1OPRD1SLC6A4OPRK1ALDH1A1
SCHEMBL17215183 0.73 AKR1C1 (0.40) OPRM1OPRD1SLC6A4OPRK1ALDH1A1
SCHEMBL3046108 0.73 OPRM1 (0.65) OPRM1OPRD1SLC22A1SLC6A4ADRA1A
SCHEMBL28765681 0.73 OPRM1 (0.65) OPRM1OPRD1SLC22A1SLC6A4ADRA1A

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
CN-101027044-A Oral dosage form safeguarded against abuse GRUENENTHAL GMBH (DE) 2007-08-29 CN disclosed