SCHEMBL9308988

SCHEMBL9308988

c1cc(COCC2CCOCC2)cc(OSc2ccc3ccccc3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CYP2D6 P10635 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
HTR3A P46098 2/20 0.33
KCNH2 Q12809 1/20 0.33
SLC2A1 P11166 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR4 Q13639 1/20 0.33

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
SCHEMBL9309515 0.86 SLC6A2 (0.32) DRD2DRD4SLC6A2SLC6A4HTR3A
SCHEMBL9308141 0.84 ALOX5 (0.47) ALOX5CYP2D6
SCHEMBL9308680 0.83 ALOX5 (0.52) ALOX5CYP2D6
SCHEMBL9309282 0.75 ALOX5 (0.48) ALOX5CYP2D6
SCHEMBL9309092 0.70 MAPT (0.38) SLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL9309991 0.70 ALOX5 (0.46) ALOX5CYP2D6
SCHEMBL9308712 0.69 ALOX5 (0.43) ALOX5CYP2D6SLC2A1
SCHEMBL29953851 0.69 ENPP2 (0.44) SLC2A1
SCHEMBL9558153 0.69 TACR1 (0.45)
SCHEMBL28179912 0.69 CTSL (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5354865-A Enzyme inhibitor and inhibiting the leukotriene biosynthesis ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
WO-1994005281-A1 PHENYLMETHYL DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed