SCHEMBL9587286

SCHEMBL9587286

CC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
GRIN1 Q05586 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAOB P27338 7/20 0.35
MAOA P21397 4/20 0.35
DRD4 P21917 1/20 0.35
KDM1A O60341 2/20 0.35
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 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
SCHEMBL9586402 0.90 ALDH1A1 (0.37) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8992298 0.86 OPRM1 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8992487 0.81 OPRM1 (0.47) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL9586032 0.78 ALOX15 (0.40) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL9585212 0.74 OPRM1 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL8992275 0.68 MAOB (0.32) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL11763463 0.68 MAPK1 (0.44) OPRM1MAOBMAOADRD4KDM1A
Hydrochloric Acid SCHEMBL8992323 0.67 MAOB (0.33) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL9846435 0.67 LMNA (0.33) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL7750182 0.67 IDO1 (0.44) GRIN2BMAOBMAOA

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-5256824-A Anticholinergic agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-26 US disclosed
EP-0445749-A1 N-Monosubstituted cyclopentenylamines, a process for their preparation and their use as medicaments FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-11 EP disclosed