SCHEMBL9511295

SCHEMBL9511295

CC(C)NC(CN1CCCC1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CHRM2 P08172 2/20 0.32
ADRA2B P18089 2/20 0.32
DRD3 P35462 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
LTA4H P09960 1/20 0.30

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
SCHEMBL9511303 1.00 MEN1 (0.39) MEN1KMT2AMAPTATMCARM1
SCHEMBL8189073 0.98 MEN1 (0.43) MEN1KMT2AMAPTATMCARM1
SCHEMBL8236423 0.85 GAA (0.36) MAPTSIGMAR1ALDH1A1CYP2D6
SCHEMBL17788475 0.84 USP2 (0.45) MEN1KMT2AMAPTALDH1A1ANPEP
SCHEMBL9103896 0.82 MEN1 (0.39) MEN1KMT2AMAPTATMCARM1
SCHEMBL9103884 0.82 MEN1 (0.39) MEN1KMT2AMAPTATMCARM1
SCHEMBL13808507 0.82 CYP3A4 (0.36) MEN1KMT2AHRH3ALDH1A1LMNA
SCHEMBL13817508 0.80 MEN1 (0.43) MEN1KMT2AMAPTATMCARM1
Hydrochloric Acid SCHEMBL9105755 0.80 KMT2A (0.38) MEN1KMT2AMAPTATMCARM1
Hydrochloric Acid SCHEMBL9105769 0.80 KMT2A (0.38) MEN1KMT2AMAPTATMCARM1

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-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP disclosed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 EP disclosed