SCHEMBL7434962

SCHEMBL7434962

COc1ccc(C(O)(CCN(C)C)C2CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
AOC3 Q16853 1/20 0.43
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
NPY2R P49146 1/20 0.37
GAA P10253 1/20 0.37

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
Bromide SCHEMBL7445477 0.99 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AAOC3CYP19A1
SCHEMBL7440554 0.93 MEN1 (0.65) ALDH1A1MEN1KMT2ACYP19A1
Hydrochloric Acid SCHEMBL7428326 0.92 MEN1 (0.67) ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL7435177 0.82 SLC6A4 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7439525 0.81 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7432963 0.81 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL7432896 0.80 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2
SCHEMBL7435279 0.80 MEN1 (0.62) ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL7430973 0.80 KMT2A (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7436806 0.79 KMT2A (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978130-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-31 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
US-4031245-A TETRABENAZINE, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-21 US disclosed
US-4001429-A 1-Cyclopropyl-1-phenyl-ω-amino-1-alkanols and 1-lower-alkylacyl derivatives as analgetics A. H. ROBINS COMPANY, INCORPORATED (US) 1977-01-04 US disclosed
US-3978129-A TETRABENAZINE ANTAGONISM A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-31 US disclosed
US-3978130-A ANTIDEPRESSANT A. H. ROBINS COMPANY, INCORPORATED (US) 1976-08-31 US disclosed