SCHEMBL7983992

SCHEMBL7983992

CN(CC1CCN(CCCc2ccccc2)CC1)C(=O)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM1A O60341 2/20 0.41
USP2 O75604 1/20 0.40
GRIN2B Q13224 1/20 0.39
BLM P54132 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CCR3 P51677 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38

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 SCHEMBL7983181 0.99 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1TSHRKMT2A
SCHEMBL7982426 0.84 LTA4H (0.47) ALDH1A1KDM1AGRIN2BBLMKCNH2
Hydrochloric Acid SCHEMBL7971795 0.83 LTA4H (0.47) ALDH1A1KDM1AGRIN2BBLMKCNH2
SCHEMBL7989522 0.83 CHRM4 (0.53) GRIN2BCCR3
SCHEMBL7971899 0.82 DRD4 (0.52) ALDH1A1KDM4EUSP2GRIN2BBLM
SCHEMBL7983161 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1TSHRKMT2A
SCHEMBL7983920 0.82 CHRM4 (0.48) GRIN2BHRH3CCR3LTA4H
Hydrochloric Acid SCHEMBL7972385 0.82 CHRM4 (0.52) GRIN2BCCR3
SCHEMBL7989635 0.82 LTA4H (0.45) GRIN2BCCR3SIGMAR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7986162 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1TSHRKMT2A

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed