SCHEMBL9254331

SCHEMBL9254331

CN(C)c1ccc(C(=O)C2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
CYP2D6 P10635 1/20 0.66
SLC18A3 Q16572 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD11B1 P28845 1/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 SCHEMBL9252134 0.98 MEN1 (0.69) MEN1KMT2ACYP2D6SLC18A3MAPT
SCHEMBL9486101 0.88 MAPT (0.57) MEN1KMT2ACYP2D6SLC18A3MAPT
SCHEMBL29083049 0.84 SRD5A2 (0.54) MEN1KMT2ACYP2D6SLC18A3MAPT
SCHEMBL1582773 0.81 KMT2A (0.96) MEN1KMT2ACYP2D6ALDH1A1HSD11B1
SCHEMBL7036133 0.80 MEN1 (0.60) MEN1KMT2ACYP2D6ALDH1A1HDAC3
Bromide SCHEMBL10968871 0.79 KMT2A (0.93) MEN1KMT2ACYP2D6ALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL2366330 0.79 KMT2A (1.00) MEN1KMT2ACYP2D6ALDH1A1HSD11B1
SCHEMBL5218517 0.79 MEN1 (0.69) MEN1KMT2ACYP2D6RAB9ANPC1
SCHEMBL13944266 0.79 MEN1 (0.69) MEN1KMT2ACYP2D6HSD11B1RAB9A
Hydrochloric Acid SCHEMBL20838548 0.78 MEN1 (0.63) MEN1KMT2ACYP2D6ALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5441967-A Treating cerebral edema; anticholinesterase or brain function-improving agent TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-15 US disclosed
CN-1024548-C Cyclic amine compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-05-18 CN disclosed
US-5294625-A 1-benzyl,4-((4-dialkylaminophenyl)carbonyl)piperidines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
EP-0378207-B1 CYCLIC AMINE COMPOUNDS AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 1993-09-22 EP disclosed
US-5177087-A Cerebral edema, cholinesterase inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
CN-1053231-A Cyclic amine compound and uses thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-07-24 CN disclosed
EP-0378207-A1 Cyclic amine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1990-07-18 EP disclosed