SCHEMBL7401595

SCHEMBL7401595

CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)O)c(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.55
HRH1 P35367 2/20 0.51
CCR3 P51677 2/20 0.51
HRH3 Q9Y5N1 2/20 0.49
CHEK2 O96017 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TOP2A P11388 1/20 0.47
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL23301265 0.90 GPR119 (0.58) GPR119HRH3CHEK2MEN1KMT2A
SCHEMBL7399691 0.89 GPR119 (0.53) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL3282383 0.88 GPR119 (0.59) GPR119HRH1CCR3HRH3CHEK2
SCHEMBL7406884 0.87 GPR119 (0.56) GPR119HRH3CHEK2MEN1KMT2A
SCHEMBL5462103 0.86 GPR119 (0.58) GPR119HRH1CCR3HRH3CHEK2
SCHEMBL7355186 0.85 GPR119 (0.54) GPR119HRH3CHEK2MEN1KMT2A
SCHEMBL8088637 0.85 GPR119 (0.57) GPR119HRH3CHEK2ALDH1A1
SCHEMBL5459344 0.85 GPR119 (0.56) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL214556 0.85 GPR119 (0.56) GPR119HRH3CHEK2NPBWR1MCHR1
SCHEMBL3091210 0.85 GPR119 (0.64) GPR119HRH3CHEK2NPBWR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US disclosed
EP-0714299-A4 1996-07-10 EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 WO disclosed