SCHEMBL7245100

SCHEMBL7245100

c1cc2c3c(c1)NCCCC3CCC2.c1cc2c3c(cccc3c1)CNC2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.33
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
NR4A1 P22736 2/20 0.31
KMT2A Q03164 2/20 0.31
APAF1 O14727 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
APP P05067 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
SNCA P37840 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4494937 0.86 HCRTR1 (0.35)
SCHEMBL4510414 0.80 OPRM1 (0.35)
SCHEMBL4501455 0.73 OPRL1 (0.35)
SCHEMBL18440762 0.71 HTR2C (0.41) HTR2C
SCHEMBL255918 0.70 TSHR (0.50) PARP1HTR2CKDM4EMEN1MAPT
SCHEMBL829452 0.68 TSHR (0.43) TSHR
SCHEMBL333922 0.67 CYP3A4 (0.38) TSHR
SCHEMBL30232003 0.67 CYP3A4 (0.38) TSHR
SCHEMBL29370750 0.67 HTR2A (0.42)
SCHEMBL28989799 0.65 ADRA2A (0.36) TSHR

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-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed