SCHEMBL4543455

SCHEMBL4543455

O=C(O)NCC(O)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.50
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ PTPN11 Q06124 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ASAH1 Q13510 1/20 0.42
▸ PTGES O14684 3/20 0.40
▸ AOC3 Q16853 3/20 0.40
▸ FFAR1 O14842 1/20 0.40

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
SCHEMBL3839542 0.86 PTPN11 (0.41) BCAT2KMT2APTPN11PTGESFFAR1
SCHEMBL26906281 0.81 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1520684 0.81 BCAT2 (0.72) BCAT2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4440959 0.77 BCAT2 (0.50) BCAT2NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4596502 0.77 ADRB3 (0.53) BCAT2LMNA
SCHEMBL254315 0.75 MTNR1A (0.42) PTPN11PTGESFFAR1
SCHEMBL3840890 0.74 KMT2A (0.37) KMT2ALMNA
SCHEMBL234847 0.74 HRH1 (0.44) KMT2ALMNAPTGESFFAR1
SCHEMBL5065146 0.73 AOC3 (0.67) L3MBTL1AOC3
SCHEMBL4440894 0.73 PNMT (0.59) BCAT2NPC1RAB9ASMN1; SMN2KMT2A

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-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 — — EP disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 — — WO disclosed
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