SCHEMBL7436541

SCHEMBL7436541

OC(CCCN1CCCCC1)([C]1CCCCCCC1)c1ccccc1.[CH2].[CH2]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.78
CHRM4 P08173 12/20 0.78
CHRM2 P08172 12/20 0.78
CHRM1 P11229 12/20 0.78
CHRM5 P08912 11/20 0.78
CYP2D6 P10635 6/20 0.78
KCNH2 Q12809 4/20 0.78
HTR1A P08908 3/20 0.78
OPRM1 P35372 3/20 0.78
SIGMAR1 Q99720 2/20 0.78
KDM4E B2RXH2 1/20 0.78
DRD2 P14416 1/20 0.78
DRD1 P21728 1/20 0.78
HTR2A P28223 1/20 0.78
DRD3 P35462 1/20 0.78
SCN1A P35498 1/20 0.78
SCN2A Q99250 1/20 0.78
SCN3A Q9NY46 1/20 0.78
LMNA P02545 2/20 0.76
MAPK1 P28482 2/20 0.76

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
SCHEMBL9782825 0.92 CHRM2 (0.77) CHRM3CHRM4CHRM2CHRM1CHRM5
Hydrochloric Acid SCHEMBL7429778 0.90 CHRM2 (0.75) CHRM3CHRM4CHRM2CHRM1CHRM5
Diphenidol SCHEMBL34469 0.88 CHRM3 (1.00) CHRM3CHRM4CHRM2CHRM1CHRM5
Diphenidol SCHEMBL195192 0.87 CHRM3 (1.00) CHRM3CHRM4CHRM2CHRM1CHRM5
SCHEMBL10307554 0.87 CHRM3 (0.97) CHRM3CHRM4CHRM2CHRM1CHRM5
Diphenidol SCHEMBL15531902 0.85 CHRM3 (0.94) CHRM3CHRM4CHRM2CHRM1CHRM5
Pridinol SCHEMBL143298 0.79 CHRM2 (1.00) CHRM3CHRM4CHRM2CHRM1CHRM5
Pridinol SCHEMBL29250415 0.77 CHRM2 (0.97) CHRM3CHRM4CHRM2CHRM1CHRM5
Pridinol SCHEMBL27496509 0.77 CHRM2 (0.97) CHRM3CHRM4CHRM2CHRM1CHRM5
Pridinol SCHEMBL363996 0.77 CHRM2 (0.97) CHRM3CHRM4CHRM2CHRM1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4945097-A THERAPY FOR ANOXIA, HYPOXIA, OR ISCHEMIA G. D. SEARLE & CO. (US) 1990-07-31 US claimed
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