SCHEMBL22384390

SCHEMBL22384390

CC(C)(C)c1ccc(-c2cnc(-c3ccc(CC(NC(=O)c4ccc(C(C)(C)C)s4)C(=O)NC(CN)C(=O)O)cc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.39
▸ KIFC1 Q9BW19 2/20 0.38
▸ ACE P12821 8/20 0.38
▸ MME P08473 8/20 0.38
▸ ACE2 Q9BYF1 7/20 0.38
▸ CPA1 P15085 6/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MCL1 Q07820 1/20 0.37
▸ DGAT1 O75907 1/20 0.36
▸ PSMB10 P40306 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL15037409 1.00 KLKB1 (0.39) KLKB1KIFC1ACEMMEACE2
SCHEMBL15037230 0.93 MCL1 (0.38) KLKB1KIFC1ACEMMEACE2
SCHEMBL15037350 0.93 MCL1 (0.38) KLKB1KIFC1ACEMMEACE2
SCHEMBL22384128 0.93 MCL1 (0.38) KLKB1KIFC1ACEMMEACE2
SCHEMBL15037234 0.93 KIFC1 (0.38) KLKB1KIFC1ACEMMEACE2
SCHEMBL15037085 0.93 KIFC1 (0.38) KLKB1KIFC1ACEMMEACE2
SCHEMBL17834867 0.92 KIFC1 (0.43) KIFC1ACEMMEACE2CPA1
SCHEMBL17968745 0.92 KIFC1 (0.43) KIFC1ACEMMEACE2CPA1
SCHEMBL15037392 0.92 KIFC1 (0.43) KIFC1ACEMMEACE2CPA1
SCHEMBL15037133 0.92 KIFC1 (0.43) KIFC1ACEMMEACE2CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 — — EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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