SCHEMBL22167284

SCHEMBL22167284

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.36
▸ PPARG P37231 5/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GRIN3B O60391 2/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2C Q14957 2/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ AKT3 Q9Y243 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL22167268 0.90 MME (0.41) MME
SCHEMBL15019919 0.84 MME (0.42) MME
SCHEMBL15019922 0.84 MME (0.42) MME
SCHEMBL22384052 0.84 PPARG (0.45) PPARGRAB9AEPHX2PPARA
SCHEMBL22167286 0.81 ACACB (0.33) —
SCHEMBL22167421 0.80 TPH1 (0.32) PPARG
SCHEMBL17459640 0.80 MME (0.41) MME
SCHEMBL17459639 0.80 MME (0.41) MME
SCHEMBL16295098 0.80 MME (0.41) MME
SCHEMBL22384192 0.80 CAPN1 (0.36) MMENPC1RAB9ARXFP1

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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