SCHEMBL7435864

SCHEMBL7435864

CN(C)CCCC(O)(c1ccc(Cl)cc1)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.58
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CHRM2 P08172 6/20 0.44
CHRM1 P11229 6/20 0.44
CYP2D6 P10635 4/20 0.44
KCNH2 Q12809 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.43
CHRM3 P20309 5/20 0.42
CHRM4 P08173 4/20 0.42
CHRM5 P08912 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
HRH1 P35367 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 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
SCHEMBL7497831 0.92 TSHR (0.56) BCL2TSHRALDH1A1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7486757 0.90 TSHR (0.55) BCL2TSHRALDH1A1CHRM2CHRM1
SCHEMBL7439218 0.86 CHRM2 (0.44) BCL2TSHRALDH1A1CHRM2CHRM1
SCHEMBL7447206 0.86 CHRM2 (0.59) BCL2TSHRALDH1A1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7441488 0.85 CHRM2 (0.58) BCL2TSHRALDH1A1CHRM2CHRM1
SCHEMBL7440855 0.85 CHRM2 (0.57) BCL2TSHRALDH1A1CHRM2CHRM1
SCHEMBL7437391 0.83 BCL2 (0.47) BCL2ALDH1A1CHRM2CHRM1CYP2D6
SCHEMBL7436761 0.81 TSHR (0.54) TSHRALDH1A1CHRM2CHRM1CYP2D6
Hydrochloric Acid SCHEMBL7444697 0.80 TSHR (0.53) TSHRALDH1A1CHRM2CHRM1CYP2D6
SCHEMBL7438216 0.79 LMNA (0.55) BCL2TSHRALDH1A1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037848-A Aryl-cycloalkyl-alkanolamines for treatment of epilepsy WASHINGTON UNIVERSITY (US) 1991-08-06 US disclosed
US-4988710-A Anticonvulsants, anticholinergic agents, aryl-cycloalkanolamines WASHINGTON UNIVERSITY (US) 1991-01-29 US disclosed
US-4945097-A THERAPY FOR ANOXIA, HYPOXIA, OR ISCHEMIA G. D. SEARLE & CO. (US) 1990-07-31 US disclosed