SCHEMBL22384197

SCHEMBL22384197

CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2ccc(-c3ncc(-c4nc(-c5cccc(Oc6ccccc6)c5)no4)cn3)cc2)C(=O)NCCC(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ CTSL P07711 5/20 0.40
▸ CTSS P25774 5/20 0.40
▸ CTSB P07858 4/20 0.40
▸ CTSK P43235 4/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ KIFC1 Q9BW19 3/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ S1PR4 O95977 2/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38
▸ S1PR3 Q99500 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
SCHEMBL16305658 0.92 GCGR (0.45) MCHR1L3MBTL1HPGDSCTSLCTSS
SCHEMBL20426087 0.89 CTSL (0.42) L3MBTL1HPGDSCTSLCTSSCTSB
SCHEMBL22384196 0.89 NPC1 (0.41) L3MBTL1HPGDSCTSLCTSSCTSB
SCHEMBL16305662 0.84 PLG (0.43) MCHR1L3MBTL1KLKB1KIFC1S1PR1
SCHEMBL19485578 0.83 L3MBTL1 (0.41) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL16305663 0.83 PLG (0.44) L3MBTL1KLKB1KIFC1S1PR1
SCHEMBL16305856 0.82 GCGR (0.46) L3MBTL1HPGDSCTSLCTSSCTSB
SCHEMBL16305719 0.82 GCGR (0.48) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL16305671 0.82 GCGR (0.45) L3MBTL1CTSLCTSSCTSBCTSK
SCHEMBL16305720 0.81 GCGR (0.45) L3MBTL1CTSLCTSSCTSBCTSK

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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