SCHEMBL10620283

SCHEMBL10620283

CCCCCCCCN(Cc1ccccc1)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.46
KCNH2 Q12809 4/20 0.45
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
DRD2 P14416 2/20 0.45
OPRM1 P35372 2/20 0.45
DRD3 P35462 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
PTPN11 Q06124 1/20 0.41
PTPRO Q16827 1/20 0.41
TSHR P16473 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL1803882 0.94 NR1H2 (0.50) CNR2NR1H2NR1H3DRD2OPRM1
SCHEMBL1839177 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL1840317 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL1838513 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL1835429 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL1836466 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL1838977 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL1838702 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL30368111 0.87 ALDH1A1 (0.44) KCNH2NR1H2NR1H3DRD2OPRM1
SCHEMBL11327064 0.86 DRD2 (0.42) CNR2KCNH2NR1H2NR1H3DRD2

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
WO-1988007071-A1 IMPROVED FUEL OIL COMPOSITIONS EXXON CHEMICAL LIMITED (GB) 1988-09-22 WO disclosed
EP-0283294-A1 Improved fuel oil compositions EXXON CHEMICAL PATENTS INC. (US) 1988-09-21 EP disclosed