SCHEMBL3962731

SCHEMBL3962731

C[C@H](NCc1cccc(OCc2ccccn2)c1)c1c(I)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GPR132 Q9UNW8 1/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYSLTR1 Q9Y271 5/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
FFAR1 O14842 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
BCHE P06276 1/20 0.37
CYSLTR2 Q9NS75 4/20 0.36
MAOA P21397 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
SCHEMBL3962711 0.85 HTR5A (0.55) HTR5AMEN1KMT2AALDH1A1GPR132
SCHEMBL8199702 0.85 HTR5A (0.55) HTR5AMEN1KMT2AALDH1A1GPR132
SCHEMBL8200312 0.76 CASR (0.65) HTR5AMEN1KMT2AALDH1A1ABCB1
SCHEMBL4993611 0.76 CASR (0.65) HTR5AMEN1KMT2AALDH1A1ABCB1
SCHEMBL15131138 0.71 MEN1 (0.56) MEN1KMT2AALDH1A1BCHE
SCHEMBL14197922 0.71 MEN1 (0.65) HTR5AMEN1KMT2AALDH1A1ABCB1
SCHEMBL2736162 0.70 ALDH1A1 (0.53) HTR5AMEN1KMT2AALDH1A1GPR132
SCHEMBL2760047 0.69 ALDH1A1 (0.57) HTR5AMEN1KMT2AALDH1A1GPR132
SCHEMBL8781060 0.69 MEN1 (0.61) HTR5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5269238 0.68 MEN1 (0.60) MEN1KMT2AALDH1A1BCHE

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-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed