SCHEMBL2198740

SCHEMBL2198740

CC(C)(N)CC[N+]1(N)CCN(c2ccccn2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DHFR P00374 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PLD1 Q13393 1/20 0.34

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
SCHEMBL4921733 0.72 CRBN (0.41) CRBNKDM4EMAPTALDH1A1DHFR
SCHEMBL12427186 0.61 CRBN (0.53) CRBNKDM4EMAPTALDH1A1HSD17B10
SCHEMBL12104232 0.60 CRBN (0.65) CRBNALDH1A1SMN1; SMN2PLD1
SCHEMBL29631825 0.60 HRH1 (0.57) ALDH1A1LMNANPC1RAB9ATDP1
SCHEMBL12803074 0.60 HRH1 (0.57) ALDH1A1LMNANPC1RAB9ATDP1
SCHEMBL2198674 0.59 CRBN (0.63) CRBNALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL30702779 0.59 CRBN (0.63) CRBNALDH1A1HSD17B10SMN1; SMN2HPGD
SCHEMBL21353591 0.59
SCHEMBL29857922 0.59 PLD1 (0.73) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15800694 0.59 PLD1 (0.73) KDM4EMAPTALDH1A1HSD17B10SMN1; SMN2

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-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed