SCHEMBL7437497

SCHEMBL7437497

OC1(c2ccccc2)CCN(CCC(O)(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.73
▸ CHRM1 P11229 5/20 0.73
▸ CYP2D6 P10635 4/20 0.73
▸ KCNH2 Q12809 4/20 0.73
▸ OPRM1 P35372 4/20 0.73
▸ CHRM3 P20309 3/20 0.73
▸ CHRM4 P08173 2/20 0.73
▸ CHRM5 P08912 2/20 0.73
▸ TSHR P16473 2/20 0.73
▸ SIGMAR1 Q99720 2/20 0.73
▸ GRIN2D O15399 1/20 0.73
▸ GRIN3B O60391 1/20 0.73
▸ HRH1 P35367 1/20 0.73
▸ GRIN1 Q05586 1/20 0.73
▸ GRIN2A Q12879 1/20 0.73
▸ GRIN2B Q13224 1/20 0.73
▸ GRIN2C Q14957 1/20 0.73
▸ GRIN3A Q8TCU5 1/20 0.73
▸ CYP3A4 P08684 1/20 0.73
▸ NFKB1 P19838 1/20 0.73

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
Trihexyphenidyl SCHEMBL34645 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Trihexyphenidyl SCHEMBL1320615 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
(R)-Procyclidine SCHEMBL15305878 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Cycrimine SCHEMBL249005 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Trihexyphenidyl SCHEMBL34646 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Cycrimine SCHEMBL249004 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Procyclidine SCHEMBL147344 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
(S)-Procyclidine SCHEMBL519431 0.85 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Trihexyphenidyl SCHEMBL42410 0.83 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1
Trihexyphenidyl SCHEMBL30061697 0.83 CHRM2 (1.00) CHRM2CHRM1CYP2D6KCNH2OPRM1

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
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