SCHEMBL7317535

SCHEMBL7317535

CN(C)C(=O)C1(c2ccc(F)cc2)CC[N]CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 5/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
CCR2 P41597 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
HDAC1 Q13547 1/20 0.35
APP P05067 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7317540 0.81 DRD3 (0.47) DRD3SMN1; SMN2TSHRHSD11B1OPRM1
SCHEMBL16802088 0.73 HSD11B1 (0.56) DRD3SMN1; SMN2TSHRHSD11B1OPRM1
SCHEMBL16763767 0.71 TSHR (0.46) DRD3SMN1; SMN2TSHRHSD11B1CYP3A4
SCHEMBL16763782 0.71 TSHR (0.46) DRD3SMN1; SMN2TSHRHSD11B1OPRM1
SCHEMBL5379328 0.71 TSHR (0.63) SMN1; SMN2TSHRHSD11B1OPRM1CYP3A4
SCHEMBL19824630 0.69 SMN1; SMN2 (0.43) DRD3SMN1; SMN2TSHRHSD11B1CYP3A4
SCHEMBL12745718 0.69 HSD11B1 (0.46) SMN1; SMN2HSD11B1OPRM1CCR2CYP3A4
SCHEMBL3640272 0.69 OPRM1 (0.46) DRD3SMN1; SMN2TSHROPRM1SLC6A2
SCHEMBL15775680 0.68 SMN1; SMN2 (0.60) SMN1; SMN2TSHRHSD11B1OPRM1
SCHEMBL3970990 0.68 HSD11B1 (0.49) HSD11B1OPRM1CYP3A4CYP2C9HDAC1

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