SCHEMBL8968925

SCHEMBL8968925

O=C1C2CC2(c2ccccc2)C(=O)N1Cc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.82
BACE1 P56817 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
ALDH1A1 P00352 3/20 0.46
ELANE P08246 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
CTRC Q99895 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10532352 0.90 CYP19A1 (1.00) CYP19A1BACE1BACE2
SCHEMBL10532398 0.86 CYP19A1 (0.70) CYP19A1BACE1ALDH1A1MEN1KMT2A
SCHEMBL8969269 0.85 CYP19A1 (0.62) CYP19A1BACE1BACE2ALDH1A1MEN1
SCHEMBL798418 0.80 CYP19A1 (0.59) CYP19A1BACE1BACE2ALDH1A1ELANE
SCHEMBL11081758 0.79 CYP19A1 (0.76) CYP19A1ALDH1A1
SCHEMBL9410346 0.76 CYP19A1 (0.64) CYP19A1BACE1BACE2ALDH1A1SMN1; SMN2
SCHEMBL10381119 0.76 CYP19A1 (0.82) CYP19A1BACE1BACE2ALDH1A1ELANE
SCHEMBL11078445 0.74 CYP19A1 (0.71) CYP19A1BACE1BACE2ALDH1A1TSHR
SCHEMBL11079959 0.74 CYP19A1 (0.74) CYP19A1ALDH1A1SMN1; SMN2
SCHEMBL11463156 0.73 CYP19A1 (0.48) CYP19A1ALDH1A1ELANEMEN1KMT2A

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