SCHEMBL9316688

SCHEMBL9316688

CCC(=O)c1cccc(-c2ccccc2)c1OCC(CN(C(C)C)C(C)C)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 12/20 0.49
▸ SCN1A P35498 3/20 0.40
▸ SCN2A Q99250 3/20 0.40
▸ SCN3A Q9NY46 3/20 0.40
▸ NR1H4 Q96RI1 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9316090 0.87 ABCB1 (0.66) ABCB1SCN1ASCN2ASCN3A
SCHEMBL9316096 0.82 ABCB1 (0.41) ABCB1NR1H4L3MBTL1SMN1; SMN2ADRA2C
Hydrochloric Acid SCHEMBL9316740 0.81 MEN1 (0.42) ABCB1NR1H4L3MBTL1SMN1; SMN2ADRA2C
SCHEMBL9316066 0.80 ABCB1 (0.34) ABCB1SCN1ASCN2ASCN3ANR1H4
SCHEMBL9316181 0.77 ABCB1 (0.39) ABCB1SCN1ASCN2ASCN3ANR1H4
SCHEMBL27894245 0.73 PTGER1 (0.47) NR1H4L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7266813 0.71 SCN1A (0.60) SCN1ASCN2ASCN3AMAPTSMN1; SMN2
SCHEMBL9317588 0.71 ABCB1 (0.55) ABCB1SMN1; SMN2ADRA2CALDH1A1
Hydrochloric Acid SCHEMBL10830495 0.70 MEN1 (0.55) ABCB1SMN1; SMN2ADRA2CALDH1A1
SCHEMBL9316252 0.70 ABCB1 (0.42) ABCB1SCN1ASCN2ASCN3AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462150-B1 NOVEL ARYLOXY ALKYL AMINES, THEIR PRODUCTION AND MEDICAMENTS CONTAINING THEM LAEVOSAN GMBH & CO KG (AT) 1994-09-07 — — EP disclosed
US-5334602-A Antiarrhytmic agent LAEVOSAN-GESELLSCHAFT GMBH (AT) 1994-08-02 — — US disclosed
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