SCHEMBL8931753

SCHEMBL8931753

Cc1nn(CC(O)c2ccc(OC(F)(F)F)cc2)c(=O)n1-c1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
GPR139 Q6DWJ6 7/20 0.41
IGF1R P08069 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.39
TRPV4 Q9HBA0 3/20 0.39
CCR1 P32246 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL8931654 0.89 GPR139 (0.40) L3MBTL1GPR139IGF1RPOLBMAPT
SCHEMBL9457262 0.84 POLB (0.50) L3MBTL1POLBMAPTCCR1ADRB2
Water SCHEMBL9457015 0.84 POLB (0.49) L3MBTL1POLBMAPTCCR1ADRB2
SCHEMBL8927401 0.76 POLB (0.45) POLBMAPTADRB2ADRB1ADRB3
SCHEMBL11070469 0.75 BRD9 (0.54) L3MBTL1POLBMAPT
SCHEMBL27443728 0.74 IGF1R (0.37) IGF1RMAPTADRB2ADRB1ADRB3
SCHEMBL23565525 0.73 GPR139 (0.48) GPR139
SCHEMBL5536931 0.72 KCNA5 (0.53) L3MBTL1MAPT
SCHEMBL11069372 0.72 MAPT (0.49) L3MBTL1POLBMAPT
SCHEMBL9462045 0.71 MAPT (0.45) L3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO disclosed