SCHEMBL7627273

SCHEMBL7627273

CN(CCO)CCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.46
HTR2A P28223 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
ADRA2B P18089 2/20 0.46
SLC6A2 P23975 2/20 0.46
HRH2 P25021 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
ADRA1A P35348 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 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
SCHEMBL6489939 0.84 AOC3 (0.46) HRH1HTR2AHRH3CHRM2CHRM5
SCHEMBL11957707 0.76 AOC3 (0.62) SLC6A2SLC6A4L3MBTL1LMNANPSR1
SCHEMBL3273864 0.76 AOC3 (0.62) SLC6A2SLC6A4L3MBTL1LMNANPSR1
SCHEMBL10778672 0.75 HTR2A (0.78) HRH1HTR2AHRH3CHRM2CHRM5
Hydrochloric Acid SCHEMBL3277848 0.75 AOC3 (0.60) SLC6A2SLC6A4L3MBTL1LMNANPSR1
SCHEMBL11114924 0.74 SIGMAR1 (0.51) HRH1HTR2AHRH3CHRM2CHRM5
SCHEMBL10750493 0.73 LMNA (0.43) HRH1HTR2AHRH3CHRM2CHRM5
SCHEMBL7632242 0.73 AOC3 (0.44) SLC6A2SLC6A4LMNANPSR1AOC3
SCHEMBL11111247 0.72 CDK4 (0.46) HRH1HTR2ASIGMAR1LMNANPSR1
SCHEMBL7625137 0.72 TACR1 (0.52) CYP2D6CYP2C9TSHRNFKB1LMNA

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
US-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 US disclosed
EP-1140791-A2 SELECTIVE CPLA 2 INHIBITORS Bristol-Myers Squibb Company (US) 2001-10-10 EP disclosed
EP-1140791-A4 SELECTIVE CPLA 2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2001-10-10 EP disclosed
US-6255496-B1 CYTOSOLIC PHOSPHATIDE 2-ACYLHYDROLASE ENZYME INHIBITORS; CONTROLLING INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY 2001-07-03 US disclosed
WO-1999015129-A2 SELECTIVE cPLA2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-01 WO disclosed