SCHEMBL8447916

SCHEMBL8447916

CCC1CCC(CCC2CCC(c3cc(F)c(CCc4ccc(Cl)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.36
CNR1 P21554 2/20 0.34
MAOB P27338 1/20 0.34
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
FAAH O00519 1/20 0.33
LSS P48449 1/20 0.32
CCR1 P32246 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHI3L1 P36222 1/20 0.31
CHIT1 Q13231 1/20 0.31
CHI3L2 Q15782 1/20 0.31
CHIA Q9BZP6 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL8447908 1.00 OPRL1 (0.36) OPRL1CNR1MAOBDRD2DRD3
SCHEMBL8447911 1.00 OPRL1 (0.36) OPRL1CNR1MAOBDRD2DRD3
SCHEMBL8447625 0.93 CYP2C9 (0.38) OPRL1CNR1MAOBDRD2DRD3
SCHEMBL8447621 0.93 CYP2C9 (0.38) OPRL1CNR1MAOBDRD2DRD3
SCHEMBL8447620 0.93 CYP2C9 (0.38) OPRL1CNR1MAOBDRD2DRD3
SCHEMBL8452575 0.91 SPHK1 (0.37) OPRL1CNR1DRD2DRD3
SCHEMBL8452566 0.91 SPHK1 (0.37) OPRL1CNR1DRD2DRD3
SCHEMBL8452572 0.91 SPHK1 (0.37) OPRL1CNR1DRD2DRD3
SCHEMBL8448233 0.90 OPRL1 (0.36) OPRL1CNR1MAOBFAAHLSS
SCHEMBL8448235 0.90 OPRL1 (0.36) OPRL1CNR1MAOBFAAHLSS

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-5858275-A Chlorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1999-01-12 US disclosed
EP-0785179-A1 CHLOROBENZENE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1997-07-23 EP disclosed