SCHEMBL8424657

SCHEMBL8424657

COc1ccc(C2(O)CCC(Cc3ccccc3)(N3CCNCC3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.49
OPRM1 P35372 3/20 0.49
OPRD1 P41143 3/20 0.49
OPRK1 P41145 3/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
DRD4 P21917 1/20 0.46
CCR1 P32246 1/20 0.44
SLC6A1 P30531 1/20 0.43
SLC6A12 P48065 1/20 0.43
SLC6A11 P48066 1/20 0.43
HSD11B1 P28845 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
GRIN2B Q13224 2/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL8424340 0.88 OPRL1 (0.51) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL8422440 0.83 SLC6A2 (0.41) MEN1ALDH1A1LMNAKMT2AGRIN2B
SCHEMBL8425640 0.81 TACR1 (0.41) OPRL1OPRD1OPRK1MEN1ALDH1A1
SCHEMBL8422264 0.77 HTR1D (0.57) MEN1LMNAKMT2ASIGMAR1
SCHEMBL8425616 0.77 HTR1D (0.45) ALDH1A1LMNASIGMAR1
SCHEMBL8425620 0.77 DRD2 (0.41) DRD2DRD3DRD4SIGMAR1SLC6A2
SCHEMBL14279749 0.76 TSHR (0.49) OPRM1MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL14279693 0.73 KMT2A (0.47) OPRM1MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL27820393 0.73 SIGMAR1 (0.46) OPRM1MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL240629 0.73 OPRL1 (0.73) OPRL1OPRM1OPRD1OPRK1MEN1

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-5919802-A Methods of preventing and/or treating temporal lobe epilepsy PRINCETON UNIVERSITY (US) 1999-07-06 US disclosed