SCHEMBL21078145

SCHEMBL21078145

CC1(c2ccccc2)CCN(I)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.43
OPRM1 P35372 5/20 0.41
DRD4 P21917 1/20 0.41
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
KCNH2 Q12809 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC18A3 Q16572 1/20 0.40
OPRL1 P41146 3/20 0.39
OPRK1 P41145 1/20 0.39
CYP2B6 P20813 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL684582 0.81 OPRD1 (0.62) OPRD1OPRM1DRD4GRIN2DGRIN3B
SCHEMBL21078015 0.80 DRD2 (0.45) OPRM1DRD4SLC6A2SLC6A4SLC6A3
SCHEMBL498014 0.79 OPRM1 (0.50) OPRM1DRD4OPRL1OPRK1ALDH1A1
Methyl Alcohol SCHEMBL11452306 0.78 OPRD1 (0.64) OPRD1OPRM1DRD4KCNH2CHRM1
Ammonia Solution, Strong SCHEMBL9556021 0.77 OPRM1 (0.48) OPRM1DRD4OPRL1OPRK1ALDH1A1
SCHEMBL10819383 0.76 OPRM1 (0.58) OPRD1OPRM1KCNH2OPRL1OPRK1
SCHEMBL8145308 0.76 OPRM1 (0.70) OPRD1OPRM1DRD4GRIN2DGRIN3B
SCHEMBL19998529 0.76 CYP2D6 (0.70) OPRD1OPRM1GRIN2DGRIN3BGRIN1
SCHEMBL21077926 0.75 OPRL1 (0.58) OPRD1OPRM1OPRL1OPRK1SIGMAR1
SCHEMBL21077986 0.75 GRM2 (0.39) OPRD1OPRM1DRD4GRIN2DGRIN3B

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
WO-2022125925-A1 COMPOSITIONS FOR TREATING DRY AGE-RELATED MACULAR DEGENERATION (AMD) COGNITION THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed