SCHEMBL5161072

SCHEMBL5161072

CCOc1ccc(-c2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
HPGD P15428 1/20 0.66
HIF1A Q16665 1/20 0.58
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CACNA2D1 P54289 6/20 0.54
MAPT P10636 2/20 0.53
HRH1 P35367 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CYP19A1 P11511 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
BCHE P06276 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL10035358 0.93 SMN1; SMN2 (0.69) SMN1; SMN2HPGDHIF1AGAATDP1
SCHEMBL10035342 0.90 SMN1; SMN2 (0.74) SMN1; SMN2HPGDHIF1AGAATDP1
SCHEMBL10035351 0.90 SMN1; SMN2 (0.74) SMN1; SMN2HPGDHIF1AGAATDP1
SCHEMBL13401011 0.87 SMN1; SMN2 (0.62) SMN1; SMN2HPGDHIF1AGAATDP1
SCHEMBL10035359 0.83 CYP19A1 (0.65) SMN1; SMN2HPGDHIF1ACACNA2D1MAPT
SCHEMBL10035331 0.83 KDM4E (0.55) SMN1; SMN2GAACYP19A1CYP11B1CYP11B2
SCHEMBL10035327 0.81 CYP3A4 (0.62) SMN1; SMN2HPGDHIF1ACACNA2D1MAPT
SCHEMBL10035353 0.81 CYP3A4 (0.62) SMN1; SMN2HPGDHIF1ACACNA2D1MAPT
SCHEMBL10035354 0.81 CYP2D6 (0.70) SMN1; SMN2HPGDHIF1ACACNA2D1MAPT
SCHEMBL10035317 0.80 AVPR1A (0.54) SMN1; SMN2HPGDGAACYP19A1CYP11B1

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-1749208-A2 FUNCTIONAL GHS-R ANTAGONISTS NOVO NORDISK A/S (DK) 2007-02-07 EP disclosed
WO-2005114180-A2 FUNCTIONAL GHS-R ANTAGONISTS NOVO NORDISK A/S (DK) 2005-12-01 WO disclosed