SCHEMBL22167272

SCHEMBL22167272

C[C@H](C=O)NC(=O)C(Cc1ccc(-c2ncc(Br)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ HPGDS O60760 3/20 0.34
▸ PSMB10 P40306 1/20 0.34
▸ PSMB2 P49721 1/20 0.34
▸ KLKB1 P03952 3/20 0.33
▸ CTSL P07711 2/20 0.33
▸ PSMB5 P28074 2/20 0.32
▸ PRCP P42785 1/20 0.32
▸ CTSS P25774 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ MME P08473 1/20 0.32

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
SCHEMBL17459639 0.89 MME (0.41) CTSBHPGDSMME
SCHEMBL17459640 0.89 MME (0.41) CTSBHPGDSMME
SCHEMBL16295098 0.89 MME (0.41) CTSBHPGDSMME
SCHEMBL22384332 0.88 KLKB1 (0.44) RAB9AKLKB1
SCHEMBL15019919 0.86 MME (0.42) HPGDSMME
SCHEMBL15019922 0.86 MME (0.42) HPGDSMME
SCHEMBL22167206 0.85 TDP1 (0.41) CTSBKLKB1CTSSCTSKMME
SCHEMBL17459588 0.85 TDP1 (0.41) CTSBKLKB1CTSSCTSKMME
SCHEMBL16305782 0.85 TDP1 (0.41) CTSBKLKB1CTSSCTSKMME
SCHEMBL17459587 0.85 TDP1 (0.41) CTSBKLKB1CTSSCTSKMME

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-3172199-B1 PYRIMIDINE DERIVATIVES AS GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-07-01 — — EP disclosed
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