SCHEMBL22384192

SCHEMBL22384192

CC(C)(C)c1ccc(C(=O)N[C@H](C=O)Cc2ccc(-c3ncc(Br)cn3)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 8/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CASP3 P42574 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ MME P08473 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ PSMB10 P40306 1/20 0.31
▸ PSMB2 P49721 1/20 0.31
▸ HPGDS O60760 1/20 0.31

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
SCHEMBL22449032 0.90 TP53 (0.38) CAPN1NPC1RAB9ARXFP1CASP1
SCHEMBL28547699 0.86 CASP1 (0.38) CAPN1NPC1RAB9ACASP3CASP1
SCHEMBL22167272 0.85 CTSB (0.35) NPC1RAB9ARXFP1MMEHDAC1
SCHEMBL15019919 0.85 MME (0.42) MMEHPGDS
SCHEMBL15019922 0.85 MME (0.42) MMEHPGDS
SCHEMBL22384071 0.84 RARB (0.39) NPC1RAB9A
SCHEMBL17825497 0.82 MAPT (0.43) —
SCHEMBL17825520 0.82 MAPT (0.43) —
SCHEMBL15037038 0.82 MAPT (0.43) —
SCHEMBL17459640 0.81 MME (0.41) MMEHPGDS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 — — CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 — — CN disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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