SCHEMBL8452803

SCHEMBL8452803

Cc1ccc([C@H]2CC[C@H](CCc3ccc(CCc4ccc(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
PROKR1 Q8TCW9 3/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
FPR2 P25090 2/20 0.35
ESR2 Q92731 1/20 0.34
OPRL1 P41146 4/20 0.33
SPHK1 Q9NYA1 2/20 0.33
CCR2 P41597 1/20 0.33
CYP2C9 P11712 1/20 0.33
CNR1 P21554 2/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL8452805 1.00 MAOB (0.39) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8451132 0.93 PROKR1 (0.35) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8448287 0.93 SLC6A2 (0.35) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8448282 0.93 SLC6A2 (0.35) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8451127 0.93 PROKR1 (0.35) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8451894 0.92 MAOB (0.44) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8451900 0.92 MAOB (0.44) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8451826 0.91 MAOB (0.38) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8451822 0.91 MAOB (0.38) MAOBPROKR1SLC6A2SLC6A4SLC6A3
SCHEMBL8453093 0.90 MAOA (0.39) MAOBPROKR1ESR2SPHK1CYP2C9

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