SCHEMBL3738538

SCHEMBL3738538

OC(CN1CCCCCC1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CYP2D6 P10635 2/20 0.56
TSHR P16473 2/20 0.56
HIF1A Q16665 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
GMNN O75496 1/20 0.55
LMNA P02545 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL11667975 1.00 MEN1 (0.56) MEN1KMT2ACYP2D6TSHRHIF1A
SCHEMBL12573567 0.81 GAA (0.69) MEN1KMT2ACYP2D6TSHRHIF1A
SCHEMBL8223804 0.81 GAA (0.69) MEN1KMT2ACYP2D6TSHRHIF1A
SCHEMBL1460306 0.81 GAA (0.69) MEN1KMT2ACYP2D6TSHRHIF1A
SCHEMBL17084199 0.80 SLC22A2 (0.51) MEN1KMT2ACYP2D6TSHRHIF1A
SCHEMBL17084131 0.80 SLC22A2 (0.51) MEN1KMT2ACYP2D6TSHRHIF1A
SCHEMBL6979453 0.79 GAA (0.71) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL1205842 0.79 GAA (0.71) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL3082979 0.79 GAA (0.71) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL4590361 0.79 HIF1A (0.49) MEN1KMT2ACYP2D6TSHRHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100287815-A1 METHOD FOR CONTROLLING HARMFUL RODENTS IN AGRICULTURAL ENTERPRISES BAYER CROPSCIENCE AG (DE) 2010-11-18 US disclosed
US-20040247638-A1 Method for controlling harmful rodents in agricultural enterprises BAYER CROPSCIENCE AG (DE) 2004-12-09 US disclosed