SCHEMBL8447603

SCHEMBL8447603

CCc1ccc(CC[C@H]2CC[C@H](CCc3cc(F)c(CCc4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.33
FPR2 P25090 2/20 0.33
CCR3 P51677 1/20 0.32
MAOB P27338 4/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAOA P21397 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ENPP2 Q13822 1/20 0.32
KCNH2 Q12809 1/20 0.32
FAAH O00519 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL8447607 1.00 PROKR1 (0.33) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8452571 0.94 PROKR1 (0.36) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8452565 0.94 PROKR1 (0.36) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8448208 0.93 MAOB (0.40) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8448211 0.93 MAOB (0.40) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8447275 0.92 PROKR1 (0.33) PROKR1FPR2CCR3
SCHEMBL8447274 0.92 PROKR1 (0.33) PROKR1FPR2CCR3
SCHEMBL8452314 0.90 MGLL (0.35) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8452317 0.90 MGLL (0.35) PROKR1FPR2CCR3MAOBSLC6A2
SCHEMBL8453568 0.90 MAOB (0.40) PROKR1FPR2CCR3MAOBSLC6A2

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