SCHEMBL8997847

SCHEMBL8997847

CC(C)N(CCCl)C(C)C.CN1CCN(CCCCl)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HRH3 Q9Y5N1 5/20 0.39
PAOX Q6QHF9 1/20 0.35
DRD3 P35462 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 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
SCHEMBL13397392 0.83 PAOX (0.40) MEN1KMT2AHRH3PAOXDRD3
SCHEMBL167231 0.81 PAOX (0.47) HRH3PAOXDRD3NPC1RAB9A
SCHEMBL8997664 0.80 HRH3 (0.39) HRH3PAOXDRD3NPC1RAB9A
SCHEMBL12359045 0.79 MEN1 (0.37) MEN1KMT2AHRH3PAOXDRD3
Hydrochloric Acid SCHEMBL374447 0.79 PAOX (0.45) MEN1KMT2AHRH3PAOXDRD3
Hydrochloric Acid SCHEMBL409216 0.79 PAOX (0.45) MEN1KMT2AHRH3PAOXDRD3
SCHEMBL6798311 0.77 CHKA (0.47) HRH3PAOXSIGMAR1ALDH1A1
SCHEMBL26267230 0.77 MEN1 (0.39) MEN1KMT2AHRH3
SCHEMBL8997844 0.77 PAOX (0.38) HRH3PAOXDRD3NPC1RAB9A
SCHEMBL25435212 0.76 HRH3 (0.47) HRH3PAOXSIGMAR1USP2ALDH1A1

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
US-5523303-A ANTIULCER AND -SECRETORY AGENTS; GASTRIC H+K+ ATPASE INHIBITORS; NONTOXIC; OXIMES DERIVATIVES EGIS GYOGYSZERGYAR RT. (HU) 1996-06-04 US disclosed
EP-0619298-A2 (Phenylmethylene)-2-(alkyl)-1- omega-(amino)-alkoxyimino -cycloalkane derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed