SCHEMBL4467700

SCHEMBL4467700

O=CC([AsH2])C(OCc1ccccc1)N1CCN(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
GRM5 P41594 3/20 0.43
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
DRD4 P21917 2/20 0.40
TP53 P04637 1/20 0.39
GFER P55789 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36

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
SCHEMBL4609928 0.81 TSHR (0.48) TSHRGRM5LMNASMN1; SMN2MAPK1
SCHEMBL27736439 0.74 TSHR (0.59) TSHRGRM5LMNASMN1; SMN2MAPK1
SCHEMBL4713865 0.73 GRM5 (0.52) TSHRGRM5LMNASMN1; SMN2TP53
SCHEMBL9261218 0.69 ADRA2A (0.40) TSHRLMNADRD4GFERDRD2
SCHEMBL27757105 0.67 GRM5 (0.56) TSHRGRM5LMNASMN1; SMN2TP53
SCHEMBL27736436 0.66 TSHR (0.62) TSHRGRM5LMNASMN1; SMN2MAPK1
SCHEMBL5722475 0.65 PKM (0.46) TSHRLMNASMN1; SMN2GFERMAPT
SCHEMBL6027334 0.65 SLC1A3 (0.49) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28074621 0.65 GRM5 (0.47) TSHRGRM5LMNASMN1; SMN2DRD4
SCHEMBL10151396 0.65 DRD4 (0.55) TSHRGRM5LMNADRD4HTR1A

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
EP-2021015-A2 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF The Administrators Of The Tulane Educational Fund (US) 2009-02-11 EP claimed
WO-2007127457-A2 GHRELIN/GROWTH HORMONE RELEASING PEPTIDE/GROWTH HORMONE SECRETATOGUE RECEPTOR ANTAGONISTS AND USES THEREOF THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2007-11-08 WO claimed