SCHEMBL22384196

SCHEMBL22384196

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4nc(-c5cccc(Cl)c5)no4)cn3)cc2)C(=O)NCCC(O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CTSV O60911 3/20 0.40
▸ CTSL P07711 3/20 0.40
▸ CTSB P07858 3/20 0.40
▸ CTSS P25774 3/20 0.40
▸ CTSK P43235 3/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ CCKBR P32239 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ KIFC1 Q9BW19 2/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ SMPD1 P17405 1/20 0.38

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
SCHEMBL20426087 0.92 CTSL (0.42) MAPTL3MBTL1CTSLCTSBCTSS
SCHEMBL16305671 0.91 GCGR (0.45) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL22384197 0.89 MCHR1 (0.43) L3MBTL1CTSLCTSBCTSSCTSK
SCHEMBL19485578 0.85 L3MBTL1 (0.41) MAPTL3MBTL1CTSLCTSBCTSS
SCHEMBL16305844 0.84 GCGR (0.45) L3MBTL1S1PR4S1PR1S1PR5S1PR3
SCHEMBL16305857 0.83 GCGR (0.46) L3MBTL1S1PR4S1PR1S1PR5S1PR3
SCHEMBL16305856 0.83 GCGR (0.46) MAPTL3MBTL1CTSLCTSBCTSS
SCHEMBL19807148 0.83 CTSL (0.42) MAPTL3MBTL1CTSLCTSBCTSS
SCHEMBL16305719 0.83 GCGR (0.48) MAPTL3MBTL1CTSLCTSBCTSS
SCHEMBL16305720 0.82 GCGR (0.45) MAPTL3MBTL1CTSVCTSLCTSB

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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