SCHEMBL10708233

SCHEMBL10708233

CC1(c2ccccc2)CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
PARP1 P09874 1/20 0.39
DPP4 P27487 1/20 0.38
HTR2A P28223 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL15995119 0.94 OPRM1 (0.42) OPRM1PARP1HTR2AOPRK1OPRL1
SCHEMBL15995122 0.94 OPRM1 (0.42) OPRM1PARP1HTR2AOPRK1OPRL1
SCHEMBL21312268 0.94 OPRM1 (0.42) OPRM1PARP1HTR2AOPRK1OPRL1
SCHEMBL28483016 0.81 OPRM1 (0.38) OPRM1DPP4HTR2AAKR1C1SLC6A4
SCHEMBL19482450 0.81 PARP1 (0.35) PARP1
SCHEMBL19482449 0.81 PARP1 (0.35) PARP1
SCHEMBL11285777 0.79 CHRNB2 (0.40) OPRM1PARP1OPRL1
SCHEMBL9407936 0.77 OPRM1 (0.41) OPRM1DPP4HTR2AAKR1C1SLC6A4
SCHEMBL27306600 0.75 OPRM1 (0.43) OPRM1DPP4HTR2AAKR1C1SLC6A4
SCHEMBL24414771 0.74 SLC6A3 (0.39) PARP1SLC6A4SLC6A2SLC6A3

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-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed