SCHEMBL8900599

SCHEMBL8900599

CN(C)CCN(C)C.c1ccc(CCCNc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.49
AOC3 Q16853 1/20 0.49

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
SCHEMBL1334972 0.87 L3MBTL1 (0.72) SIGMAR1L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL2170344 0.83 ALDH1A1 (0.64) SIGMAR1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL3465634 0.81 L3MBTL1 (0.69) SIGMAR1L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL8100059 0.80 SIGMAR1 (0.67) SIGMAR1L3MBTL1ALDH1A1MAPTHPGD
SCHEMBL171395 0.79 ALDH1A1 (0.56) L3MBTL1TAAR1ALDH1A1MAPTMEN1
SCHEMBL22894157 0.79 HTT (0.61) SIGMAR1L3MBTL1ALDH1A1MAPTMEN1
SCHEMBL10974964 0.79 SIGMAR1 (0.70) SIGMAR1TAAR1
SCHEMBL119103 0.77 SIGMAR1 (0.83) SIGMAR1TAAR1AOC3
SCHEMBL11799806 0.76 SIGMAR1 (0.59) SIGMAR1L3MBTL1ALDH1A1MAPTMEN1
Bromide SCHEMBL5091341 0.75 SIGMAR1 (0.80) SIGMAR1TAAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5690726-A ADDING A LEWIS BASE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1997-11-25 US claimed