SCHEMBL7317540

SCHEMBL7317540

CN(C)C(=O)C1(c2ccc(F)cc2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47
OPRM1 P35372 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD11B1 P28845 3/20 0.38
AKT1 P31749 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
DPP4 P27487 1/20 0.35
OPRD1 P41143 1/20 0.35
MMP3 P08254 1/20 0.35
MMP10 P09238 1/20 0.35

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
SCHEMBL11117923 0.84 DRD2 (0.51) DRD3OPRM1TSHRSMN1; SMN2HSD11B1
SCHEMBL5356989 0.84 OPRM1 (0.57) OPRM1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL4432360 0.83 DRD2 (0.50) DRD3OPRM1TSHRSMN1; SMN2HSD11B1
Hydrochloric Acid SCHEMBL7624556 0.83 OPRM1 (0.56) OPRM1TSHRSMN1; SMN2
SCHEMBL28231788 0.82 OPRM1 (0.43) OPRM1HSD11B1DPP4MMP3MMP10
SCHEMBL7317535 0.81 DRD3 (0.47) DRD3OPRM1TSHRSMN1; SMN2HSD11B1
SCHEMBL378896 0.80 APP (0.50) OPRM1HSD11B1
Hydrochloric Acid SCHEMBL5916170 0.79 APP (0.49) OPRM1HSD11B1
SCHEMBL31368038 0.78 OPRM1 (0.51) OPRM1SMN1; SMN2
Hydrochloric Acid SCHEMBL8353580 0.78 HSD11B1 (0.46) OPRM1HSD11B1DPP4OPRD1

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-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed