SCHEMBL11245908

SCHEMBL11245908

CN(CCCOC1(Cc2ccccc2)CC2CCC1(C)C2(C)C)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.45
SLC6A12 P48065 1/20 0.45
SLC6A11 P48066 1/20 0.45
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
SLC18A3 Q16572 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
GRIN2B Q13224 4/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ACHE P22303 1/20 0.32
GRIN1 Q05586 2/20 0.32
AGTR2 P50052 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL7780678 0.87 SLC6A1 (0.56) SLC6A1SLC6A12SLC6A11OPRM1SLC6A2
SCHEMBL11257896 0.87 SLC6A1 (0.56) SLC6A1SLC6A12SLC6A11OPRM1SLC6A2
SCHEMBL11251756 0.83 SLC6A1 (0.46) SLC6A1SLC6A12SLC6A11OPRM1SLC6A2
Ramciclane SCHEMBL2108206 0.83 SLC6A1 (0.64) SLC6A1SLC6A12SLC6A11OPRM1
SCHEMBL11253836 0.82 SLC6A1 (0.45) SLC6A1SLC6A12SLC6A11
SCHEMBL11241358 0.79 SLC6A1 (0.50) SLC6A1SLC6A12SLC6A11OPRM1SLC6A2
SCHEMBL11252330 0.78 SLC6A1 (0.49) SLC6A1SLC6A12SLC6A11CHRM2CHRM1
SCHEMBL11251560 0.77 SLC6A1 (0.46) SLC6A1SLC6A12SLC6A11
Fumaric Acid SCHEMBL11262713 0.77 ALDH1A1 (0.41) SLC6A1SLC6A12SLC6A11OPRM1SLC6A2
SCHEMBL11257165 0.74 SIGMAR1 (0.43) SLC6A1SLC6A12SLC6A11USP2KDM4E

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
US-4342762-A USEFUL AS TRANQUILIZERS, ANALGESICS, ANTIEPILEPTIC AGENTS, AND AS A TREATMENT FOR PARKINSON'S DISEASE EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1982-08-03 US disclosed