SCHEMBL7433900

SCHEMBL7433900

CC(C)CCOc1ccc(C(O)(CCN(C)C)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 4/20 0.39
CHRM2 P08172 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 3/20 0.39
KCNH2 Q12809 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
HRH1 P35367 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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 SCHEMBL7437572 0.99 MEN1 (0.47) MEN1KMT2ACYP2D6CHRM2CHRM1
SCHEMBL7436750 0.88 MEN1 (0.47) MEN1KMT2ACYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL7444488 0.87 MEN1 (0.49) MEN1KMT2ACYP2D6CHRM2CHRM1
SCHEMBL7436473 0.87 MEN1 (0.48) MEN1KMT2ACYP2D6CHRM2CHRM1
SCHEMBL7438122 0.87 MEN1 (0.48) MEN1KMT2ACYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL7437435 0.86 MEN1 (0.50) MEN1KMT2ACYP2D6CHRM2CHRM1
SCHEMBL7430973 0.84 KMT2A (0.50) MEN1KMT2ACYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL7436806 0.83 KMT2A (0.52) MEN1KMT2ACYP2D6CHRM2CHRM1
SCHEMBL7433633 0.83 MEN1 (0.49) MEN1KMT2ACYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL7437575 0.82 MEN1 (0.51) MEN1KMT2ACYP2D6CHRM2CHRM1

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