SCHEMBL8477240

SCHEMBL8477240

CCc1c(C)nc2n(C)c(C)c(N3CCC(n4ccc5ccccc54)CC3)n2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
SLC6A4 P31645 2/20 0.47
SCD O00767 5/20 0.43
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
ADORA1 P30542 1/20 0.32
PLK1 P53350 1/20 0.32
PLK2 Q9NYY3 1/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL8473472 0.80 DRD2 (0.44) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL8477986 0.78 DRD2 (0.44) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL7149529 0.71 DRD2 (0.53) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL7150338 0.68 DRD2 (0.51) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL8473649 0.66 HTR2A (0.42) SCDHTR2AHTR7ALDH1A1LMNA
SCHEMBL3144674 0.66 DRD2 (0.70) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL30102638 0.66 DRD2 (0.70) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL3139830 0.65 DRD2 (0.78) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL7147314 0.65 CYP2D6 (0.54) DRD2SLC6A4SCDOPRM1OPRD1
SCHEMBL7145335 0.65 DRD2 (0.52) DRD2SLC6A4SCDOPRM1OPRD1

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-5919788-A PSYCHOLOGICAL DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-07-06 US disclosed