SCHEMBL8317233

SCHEMBL8317233

ClCc1ccccc1OCCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
HTR1A P08908 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
HRH1 P35367 2/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 1/20 0.45
PTGER1 P34995 1/20 0.44
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL8551628 0.85 L3MBTL1 (0.46) TP53CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL10650358 0.83 HTR1A (0.50) DRD2HTR1ATP53CYP1A2CYP3A4
SCHEMBL4309191 0.82 KCNA3 (0.59) DRD2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL2292383 0.81 TP53 (0.49) DRD2HTR1ATP53CYP1A2CYP3A4
Bromide SCHEMBL4513514 0.80 TP53 (0.48) DRD2HTR1ATP53CYP1A2CYP3A4
SCHEMBL3034705 0.80 HTR1A (0.51) DRD2HTR1ATP53CYP1A2CYP3A4
SCHEMBL27297827 0.79 LTB4R (0.54) DRD2HTR1ATP53CYP1A2CYP3A4
SCHEMBL8862483 0.79 HTR1A (0.50) DRD2HTR1ATP53CYP1A2CYP3A4
SCHEMBL9417459 0.79 L3MBTL1 (0.60) DRD2TP53CYP1A2CYP3A4CYP2C9
SCHEMBL547985 0.78 HTR1A (0.67) DRD2HTR1ATP53L3MBTL1LMNA

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-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP disclosed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed