SCHEMBL9253267

SCHEMBL9253267

C[C]1CCC(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.52
SIGMAR1 Q99720 1/20 0.52
SRD5A1 P18405 1/20 0.48
GRIN2B Q13224 3/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 2/20 0.43
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL41763 0.79
SCHEMBL190417 0.79 SLC18A3 (0.67) SLC18A3SIGMAR1GRIN2BDRD2KDM4E
Methyl Alcohol SCHEMBL2329914 0.77 SLC18A3 (0.58) SLC18A3SIGMAR1GRIN2BDRD2KDM4E
Methylamine SCHEMBL10526333 0.77 SLC18A3 (0.58) SLC18A3SIGMAR1GRIN2BDRD2KDM4E
Benzene SCHEMBL23070411 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BDRD2KDM4E
Ammonia Solution, Strong SCHEMBL3932661 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BDRD2KDM4E
Hydrogen Peroxide SCHEMBL2353767 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BKMT2A
Hydrochloric Acid SCHEMBL29241797 0.76 SLC18A3 (0.64) SLC18A3SIGMAR1GRIN2BDRD2GAA
SCHEMBL20010634 0.76 SLC18A3 (0.52) SLC18A3SIGMAR1SRD5A1GRIN2BDRD2
SCHEMBL5584715 0.76 SLC18A3 (0.52) SLC18A3SIGMAR1SRD5A1GRIN2BDRD2

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
US-5378680-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed