SCHEMBL15037278

SCHEMBL15037278

COc1cc(-c2nc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)O)cc3)no2)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 14/20 0.53
▸ SMPD1 P17405 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ S1PR4 O95977 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ S1PR5 Q9H228 1/20 0.44

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
SCHEMBL15096518 0.93 TPH1 (0.53) TPH1SMPD1KDM4EGAAMAPT
SCHEMBL15037265 0.92 TPH1 (0.54) TPH1SMPD1KDM4EGAAMAPT
SCHEMBL15096517 0.92 TPH1 (0.64) TPH1SMPD1KDM4EMAPTLMNA
SCHEMBL22448925 0.92 TPH1 (0.64) TPH1SMPD1KDM4EMAPTLMNA
SCHEMBL15037368 0.91 TPH1 (0.59) TPH1SMPD1KDM4EMAPTLMNA
SCHEMBL15037267 0.90 TPH1 (0.52) TPH1SMPD1KDM4EGAAMAPT
SCHEMBL22449247 0.88 S1PR4 (0.54) TPH1KDM4EGAAMAPTLMNA
SCHEMBL15037155 0.88 S1PR4 (0.54) TPH1KDM4EGAAMAPTLMNA
SCHEMBL15037262 0.87 TPH1 (0.61) TPH1KDM4EGAAMAPTS1PR4
SCHEMBL15037108 0.87 MAPT (0.48) TPH1KDM4EGAAMAPTLMNA

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
WO-2013090454-A2 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS, INC. (US) 2013-06-20 — — WO disclosed
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