SCHEMBL22384194

SCHEMBL22384194

CNC(Cc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1)C(=O)N1CC(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ HRH2 P25021 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ LY96 Q9Y6Y9 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ HPGDS O60760 3/20 0.35
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL22384212 0.89 ACACB (0.36) CTSSCTSKKMT2AACACBHRH2
SCHEMBL22384328 0.89 ACACB (0.34) CTSSCTSKACACBHRH2HRH1
SCHEMBL16305910 0.85 ITGB3 (0.36) CTSSCTSKKMT2AACACBHRH2
SCHEMBL22756197 0.85 ITGB3 (0.36) CTSSCTSKKMT2AACACBHRH2
SCHEMBL22384134 0.78 HRH2 (0.44) HRH2HRH1
SCHEMBL17532278 0.77 P2RX7 (0.52) CTSKKMT2AHRH2HRH1MAPK1
SCHEMBL16295734 0.77 HRH2 (0.46) HRH2HRH1
SCHEMBL16295733 0.77 HRH2 (0.46) HRH2HRH1
SCHEMBL19485536 0.76 HRH2 (0.42) HRH2HRH1
SCHEMBL16305994 0.76 HRH2 (0.48) HRH2HRH1

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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