SCHEMBL11290168

SCHEMBL11290168

COc1ccc2c(c1)C(C)(C)C(N)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
KDM1A O60341 2/20 0.48
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
POLA1 P09884 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
KYAT1 Q16773 1/20 0.43
KYAT3 Q6YP21 1/20 0.43
AADAT Q8N5Z0 1/20 0.43
ACHE P22303 1/20 0.42

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
Hydrochloric Acid SCHEMBL11291604 0.98 DRD2 (0.49) DRD2DRD3KDM1AOPRM1OPRD1
SCHEMBL11297637 0.88 KDM1A (0.54) DRD2DRD3KDM1AOPRM1OPRK1
Hydrochloric Acid SCHEMBL11296787 0.86 KDM1A (0.52) DRD2DRD3KDM1AOPRM1OPRK1
SCHEMBL8768777 0.85 DRD2 (0.54) DRD2DRD3KDM1AOPRM1OPRK1
SCHEMBL8767448 0.85 DRD2 (0.54) DRD2DRD3KDM1AOPRM1OPRK1
SCHEMBL11350059 0.81 GRIN2D (0.43) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11296513 0.80 OPRM1 (0.43) DRD2DRD3KDM1AOPRM1OPRD1
Hydrochloric Acid SCHEMBL11305258 0.80 GRIN2D (0.43) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL7670096 0.80 OPRM1 (0.66) DRD2DRD3KDM1AOPRM1OPRD1
SCHEMBL7661867 0.80 OPRM1 (0.66) DRD2DRD3KDM1AOPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005821-B1 INDANAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Hokuriku Pharmaceutical Co.,Ltd (JP) 1982-12-08 EP disclosed
EP-0005821-A1 Indanamine derivatives, process for their preparation and medicaments containing them Hokuriku Pharmaceutical Co.,Ltd (JP) 1979-12-12 EP disclosed