SCHEMBL6421740

SCHEMBL6421740

FC(F)C(F)(F)C(F)(F)C(F)N1CCC(n2ccc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
SCD O00767 5/20 0.39
HTR2A P28223 2/20 0.38
HTR7 P34969 2/20 0.38
ABCB1 P08183 1/20 0.32
MAOB P27338 1/20 0.32
P2RX7 Q99572 1/20 0.30
HTR6 P50406 2/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1F P30939 1/20 0.30

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
SCHEMBL30656399 0.76 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3257479 0.76 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL29423860 0.73 DRD2 (0.63) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL367111 0.73 DRD2 (0.63) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3141317 0.73 DRD2 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL30241555 0.72 DRD2 (0.51) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3144674 0.71 DRD2 (0.70) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL30102638 0.71 DRD2 (0.70) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL3155300 0.71 DRD2 (0.51) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL12605572 0.70 DRD2 (0.59) OPRM1OPRD1OPRK1OPRL1DRD2

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-0817627-B1 PROTEIN KINASE C INHIBITORS LILLY CO ELI (US) 2005-03-09 EP disclosed