SCHEMBL7572801

SCHEMBL7572801

CN(C)CCNC(=O)Oc1ccc(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PTGER1 P34995 2/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
CETP P11597 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
GAA P10253 2/20 0.34

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
SCHEMBL7982400 0.95 F2 (0.39) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7982392 0.89 TRPV1 (0.35) PTGER1CETPGAAPTGER4
SCHEMBL7982398 0.89 UTS2R (0.35) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7986061 0.88 PTGER1 (0.35) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL8047891 0.86 GAA (0.36) PTGER1KMT2AUTS2RCETPGPR55
SCHEMBL7515830 0.86 GAA (0.36) F2PRSS1PRSS2PRSS3PTGER1
SCHEMBL7982389 0.86 CETP (0.34) PTGER1KMT2ACETPGAA
SCHEMBL7979267 0.85 PTGER1 (0.34) PTGER1CETP
SCHEMBL7505090 0.85 PTGER1 (0.38) MRGPRX4PTGER1CETPGAA
SCHEMBL7505088 0.85 PTGER1 (0.38) MRGPRX4PTGER1CETPGAA

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-1150978-A4 CARBAMATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2002-06-12 EP claimed
EP-1150978-A1 CARBAMATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-07 EP claimed
WO-2000044745-A1 CARBAMATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 WO claimed
US-6297241-B1 TREATMENT OF DISORDERS WHICH ARE RESPONSIVE TO THE OPENING OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS. BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 US disclosed
US-6162817-A Carbamate derivatives of diaryl 1,3,4-oxadiazolone BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-19 US disclosed