SCHEMBL11247347

SCHEMBL11247347

CN1C2CCC1CC(O)(C(=O)c1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CHRNA7 P36544 1/20 0.51
HTR3A P46098 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SLC6A4 P31645 4/20 0.50
SLC6A3 Q01959 4/20 0.50
SLC6A2 P23975 3/20 0.50
LMNA P02545 2/20 0.46
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
DRD2 P14416 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.41

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
SCHEMBL28548343 0.74 LMNA (0.39) LMNACYP2C9HSD17B10
SCHEMBL5194656 0.74 SLC6A4 (0.74) SLC6A4SLC6A3SLC6A2OPRM1OPRD1
SCHEMBL11236719 0.73 DRD2 (0.53) SLC6A4SLC6A3SLC6A2LMNAOPRM1
SCHEMBL11173936 0.73 OPRL1 (0.60) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL11173935 0.73 OPRL1 (0.60) HTR3EHTR3BCHRNA7HTR3AHTR3D
SCHEMBL13933070 0.72 CYP2C9 (0.50) LMNACYP2C9
SCHEMBL6698945 0.72 CES1 (0.46) LMNAHSD17B10
SCHEMBL11341980 0.72 CES1 (0.46) LMNAHSD17B10
SCHEMBL28433377 0.72 LMNA (0.50) LMNAHSD17B10
SCHEMBL29516310 0.71 HTR3E (0.56) HTR3EHTR3BCHRNA7HTR3AHTR3D

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-4366154-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS SANDOZ, INC. (US) 1982-12-28 US disclosed