SCHEMBL3861777

SCHEMBL3861777

Clc1ccccc1OCCNC1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MEN1 O00255 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ DRD2 P14416 1/20 0.53
▸ DRD4 P21917 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ BACE1 P56817 1/20 0.50
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 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
SCHEMBL12204779 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1PKMKMT2A
SCHEMBL14799311 0.81 HTR1A (0.46) ALDH1A1KDM4EMEN1KMT2ABACE1
SCHEMBL2474305 0.80 ALDH1A1 (0.88) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL3975714 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ABACE1
SCHEMBL2469303 0.80 ALDH1A1 (0.63) ALDH1A1KDM4EMEN1KMT2ADRD2
SCHEMBL6867851 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1PKMKMT2A
SCHEMBL6867856 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1PKMKMT2A
Hydrochloric Acid SCHEMBL18863751 0.79 ALDH1A1 (0.57) ALDH1A1KDM4EMEN1KMT2ABACE1
SCHEMBL9814011 0.77 MEN1 (0.46) ALDH1A1KDM4EMEN1PKMKMT2A
SCHEMBL9808263 0.75 L3MBTL1 (0.68) ALDH1A1MEN1PKMKMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401391-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN APKARIAN TECHNOLOGIES LLC 2022-12-22 — — US disclosed
US-11419857-B2 Methods and compositions for treating pain APKARIAN TECHNOLOGIES LLC (US) 2022-08-23 — — US disclosed
EP-3946302-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN Apkarian Technologies LLC (US) 2022-02-09 — — EP disclosed
WO-2020227646-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN APKARIAN TECHNOLOGIES LLC (US) 2020-11-12 — — WO disclosed
US-20200046687-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN APKARIAN TECHNOLOGIES LLC 2020-02-13 — — US disclosed
US-20170143681-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN APKARIAN TECHNOLOGIES LLC 2017-05-25 — — US disclosed
US-8703764-B2 Combination therapy for dementia, depression and apathy SHELDON LESLIE JAMES (CA) 2014-04-22 — — US disclosed
EP-1713486-A4 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2009-04-29 — — EP disclosed
US-20060287299-A1 Combination therapy for dementia, depression and apathy SHELDON LESLIE J 2006-12-21 — — US disclosed
EP-1713486-A1 COMBINATION THERAPY FOR DEMENTIA,DEPRESSION AND APATHY Sheldon, Leslie James (CA) 2006-10-25 — — EP disclosed
WO-2005053703-A1 COMBINATION THERAPY FOR DEMENTIA, DEPRESSION AND APATHY SHELDON LESLIE JAMES (CA) 2005-06-16 — — WO disclosed
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