SCHEMBL7440554

SCHEMBL7440554

COc1ccc(C(O)(CCN(C)C)C2CCCCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.53
CYP19A1 P11511 1/20 0.49
CYP2D6 P10635 4/20 0.45
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
CHRM3 P20309 3/20 0.45
KCNH2 Q12809 3/20 0.45
CHRM4 P08173 2/20 0.45
CHRM5 P08912 2/20 0.45
TSHR P16473 2/20 0.45
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
HRH1 P35367 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45

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
Hydrochloric Acid SCHEMBL7428326 0.99 MEN1 (0.67) MEN1KMT2AALDH1A1CYP19A1CYP2D6
SCHEMBL7434962 0.93 ALDH1A1 (0.57) MEN1KMT2AALDH1A1CYP19A1
Bromide SCHEMBL7445477 0.92 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CYP19A1
SCHEMBL7430973 0.87 KMT2A (0.50) MEN1KMT2AALDH1A1CYP2D6CHRM2
SCHEMBL7435279 0.87 MEN1 (0.62) MEN1KMT2AALDH1A1CYP19A1CYP2D6
Hydrochloric Acid SCHEMBL7436806 0.86 KMT2A (0.52) MEN1KMT2AALDH1A1CYP2D6CHRM2
SCHEMBL7433633 0.86 MEN1 (0.49) MEN1KMT2AALDH1A1CYP2D6CHRM2
SCHEMBL7436473 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1CYP2D6CHRM2
Hydrochloric Acid SCHEMBL7437575 0.85 MEN1 (0.51) MEN1KMT2AALDH1A1CYP2D6CHRM2
SCHEMBL7438122 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1CYP2D6CHRM2

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