SCHEMBL13880280

SCHEMBL13880280

COc1ccccc1C1(CC=O)CCN(C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTT P42858 1/20 0.40
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
SIGMAR1 Q99720 2/20 0.39
SLC6A1 P30531 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL19993072 0.74 DRD2 (0.49) DRD2DRD3CHRM5CHRM1CHRM3
SCHEMBL6816695 0.70 KMT2A (0.55) DRD2DRD3OPRM1
SCHEMBL10638230 0.69 SIGMAR1 (0.43) DRD2DRD3CHRM5CHRM1CHRM3
SCHEMBL2339483 0.67 SLC6A4 (0.47) HTTCHRM5CHRM1CHRM3SIGMAR1
SCHEMBL34463017 0.67 SLC6A4 (0.47) HTTCHRM5CHRM1CHRM3SIGMAR1
SCHEMBL9862636 0.67 MEN1 (0.44) SIGMAR1TP53
SCHEMBL6185984 0.67 SLC6A4 (0.45) OPRD1
SCHEMBL8747300 0.66 SIGMAR1 (0.46) HTTCHRM5CHRM1CHRM3SIGMAR1
SCHEMBL1245458 0.66 APP (0.47) HTTSIGMAR1OPRM1OPRD1OPRK1
SCHEMBL30040332 0.66 HTT (0.67) HTTSIGMAR1OPRM1OPRD1OPRK1

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-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed