SCHEMBL10401434

SCHEMBL10401434

CN(C)CCNC(=O)N1CCN(c2ccc(N(C)C)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAMPT P43490 3/20 0.47
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 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
Hydrochloric Acid SCHEMBL10401824 0.99 ALDH1A1 (0.49) ALDH1A1DRD2DRD3MAPTNPC1
SCHEMBL10401922 0.88 MAPT (0.51) ALDH1A1DRD2DRD3MAPTNPC1
SCHEMBL10401582 0.87 TP53 (0.60) ALDH1A1MAPTHPGDLMNAPOLB
SCHEMBL10401523 0.87 ALDH1A1 (0.50) ALDH1A1DRD2DRD3MAPTNPC1
SCHEMBL3043309 0.87 GFER (0.55) ALDH1A1DRD2DRD3MAPTNPC1
SCHEMBL10401849 0.87 CHRM4 (0.54) ALDH1A1DRD2MAPTHPGDLMNA
SCHEMBL10401826 0.86 DRD2 (0.62) ALDH1A1DRD2DRD3MAPTUSP2
Hydrochloric Acid SCHEMBL10401376 0.86 GFER (0.54) ALDH1A1DRD2DRD3MAPTNPC1
SCHEMBL10401568 0.86 ALDH1A1 (0.67) ALDH1A1MAPTLMNAPOLBTP53
Hydrochloric Acid SCHEMBL10401866 0.85 ALDH1A1 (0.66) ALDH1A1MAPTLMNAPOLBHTT

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-4960776-A ANTIALLERGENS A. H. ROBINS COMPANY, INC. (US) 1990-10-02 US claimed
EP-0277725-A2 4-Aryl-N-[2-(dialkylamino and heterocyclicamino) alkyl]-1-piperazinecarboxamides and their use as anti allergy agents A.H. ROBINS COMPANY, INCORPORATED (US) 1988-08-10 EP claimed