SCHEMBL8517601

SCHEMBL8517601

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCCCCC(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.39
DRD2 P14416 7/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD4 P21917 4/20 0.38
HTR2A P28223 3/20 0.38
HTR1A P08908 2/20 0.38
HRH1 P35367 2/20 0.38
HTR2C P28335 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DRD3 P35462 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ASAH1 Q13510 1/20 0.36

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
SCHEMBL8517694 0.91 CCR2 (0.41) DRD2MEN1KMT2A
SCHEMBL8443653 0.88 KMT2A (0.46) CCR3MEN1KMT2ANPC1RAB9A
SCHEMBL8373704 0.88 MAPT (0.40) MEN1KMT2ARAB9A
SCHEMBL8517608 0.86 LMNA (0.35) MEN1KMT2AHTR1ADRD3
SCHEMBL8378312 0.85 CCR2 (0.38) MEN1KMT2A
SCHEMBL8438732 0.84 TRPV1 (0.48) KMT2AASAH1
SCHEMBL8772503 0.84 TRPV1 (0.48) KMT2AASAH1
SCHEMBL8442084 0.84 TRPV1 (0.48) KMT2AASAH1
SCHEMBL27493521 0.84 TRPV1 (0.48) KMT2AASAH1
SCHEMBL27495125 0.84 TRPV1 (0.48) KMT2AASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP claimed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO claimed
EP-0900199-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1999-03-10 EP disclosed
WO-1997041099-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed