SCHEMBL15048933

SCHEMBL15048933

[CH2]CCN1C[C@@H](C)N[C@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
HTR2B P41595 1/20 0.42
HTT P42858 1/20 0.42
SCARB1 Q8WTV0 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL15048932 1.00 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL1787506 1.00 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL1786199 0.80 SIGMAR1 (0.37) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL3104162 0.78 SIGMAR1 (0.43) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL11532068 0.78 SIGMAR1 (0.43) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL2008948 0.77 GBA1 (0.38) SIGMAR1
SCHEMBL6780999 0.76 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL3718838 0.76 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL2349160 0.76 SIGMAR1 (0.42) SIGMAR1MEN1KMT2ACYP2C9TSHR
SCHEMBL293973 0.76 BIRC2 (0.46) CYP2C19CYP1A2ALOX15CHRM1

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
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed