SCHEMBL8969269

SCHEMBL8969269

O=C1C2CC2(c2ccccc2)C(=O)N1CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.62
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
MGLL Q99685 1/20 0.45
MAPK1 P28482 1/20 0.45
BACE1 P56817 1/20 0.43
BACE2 Q9Y5Z0 1/20 0.43

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
SCHEMBL8968925 0.85 CYP19A1 (0.82) CYP19A1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11081758 0.77 CYP19A1 (0.76) CYP19A1ALDH1A1GAAL3MBTL1
SCHEMBL10532352 0.77 CYP19A1 (1.00) CYP19A1BACE1BACE2
SCHEMBL11078445 0.75 CYP19A1 (0.71) CYP19A1ALDH1A1SMN1; SMN2BACE1BACE2
SCHEMBL11085254 0.75 CYP19A1 (0.51) CYP19A1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9410346 0.74 CYP19A1 (0.64) CYP19A1ALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL10532398 0.73 CYP19A1 (0.70) CYP19A1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11079959 0.72 CYP19A1 (0.74) CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL11463156 0.71 CYP19A1 (0.48) CYP19A1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10529975 0.69 CYP19A1 (1.00) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600507-B1 3-Azabicyclo(3.1.0.)hexane-2-one derivatives and Herbicidal Compositions Containing them as Herbicidally Active Ingredients MITSUI TOATSU CHEMICALS (JP) 1996-03-06 EP disclosed
US-5352655-A Pre- and postemergence; rice MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-10-04 US disclosed
EP-0600507-A1 3-Azabicyclo(3.1.0.)hexane-2-one derivatives and Herbicidal Compositions Containing them as Herbicidally Active Ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-06-08 EP disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 US disclosed