SCHEMBL7440855

SCHEMBL7440855

CN(C)CCCC(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.57
CHRM1 P11229 6/20 0.57
CYP2D6 P10635 4/20 0.57
KCNH2 Q12809 3/20 0.57
CHRM3 P20309 5/20 0.55
CHRM4 P08173 4/20 0.55
CHRM5 P08912 2/20 0.55
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
HRH1 P35367 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
CYP3A4 P08684 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR1A P08908 1/20 0.55

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
SCHEMBL7447206 0.99 CHRM2 (0.59) CHRM2CHRM1CYP2D6KCNH2CHRM3
Hydrochloric Acid SCHEMBL7441488 0.97 CHRM2 (0.58) CHRM2CHRM1CYP2D6KCNH2CHRM3
SCHEMBL7438216 0.94 LMNA (0.55) CHRM2CHRM1CYP2D6KCNH2CHRM3
Hydrochloric Acid SCHEMBL7432259 0.93 LMNA (0.57) CHRM2CHRM1CYP2D6KCNH2CHRM3
SCHEMBL9782807 0.90 CHRM2 (0.62) CHRM2CHRM1CYP2D6KCNH2CHRM3
Hydrochloric Acid SCHEMBL7429698 0.88 CHRM2 (0.60) CHRM2CHRM1CYP2D6KCNH2CHRM3
SCHEMBL7439218 0.85 CHRM2 (0.44) CHRM2CHRM1CYP2D6KCNH2CHRM3
SCHEMBL7435864 0.85 BCL2 (0.58) CHRM2CHRM1CYP2D6KCNH2CHRM3
SCHEMBL7439525 0.84 SMN1; SMN2 (0.57) CHRM2CHRM1CYP2D6KCNH2CHRM3
SCHEMBL7437391 0.84 BCL2 (0.47) CHRM2CHRM1CYP2D6KCNH2CHRM3

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