SCHEMBL3719013

SCHEMBL3719013

O=C(c1cn[c]c(Cl)c1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.49
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GRM5 P41594 3/20 0.42
CNR1 P21554 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL422780 0.97 HPGD (0.45) HPGDHSD11B1ALDH1A1KDM4EGRM5
SCHEMBL23387941 0.75 HPGD (0.55) HPGDHSD11B1ALDH1A1KDM4ETSHR
SCHEMBL3717205 0.73 HCAR2 (0.48) ALDH1A1KDM4EPOLBTSHRMEN1
SCHEMBL1427046 0.72 MEN1 (0.59) HPGDHSD11B1ALDH1A1KDM4EGRM5
SCHEMBL3778711 0.72 HPGD (0.58) HPGDHSD11B1ALDH1A1KDM4ETSHR
SCHEMBL4926896 0.72 CA5A (0.35) MEN1KMT2A
SCHEMBL1035373 0.72 NNMT (0.39) POLBTSHR
SCHEMBL20577446 0.70 GRM5 (0.54) HPGDHSD11B1ALDH1A1KDM4EGRM5
SCHEMBL743014 0.70 HPGD (0.53) HPGDALDH1A1KDM4EGRM5POLB
SCHEMBL6824364 0.70 GRM5 (0.51) HPGDHSD11B1GRM5CNR1TSHR

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
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 WO disclosed