SCHEMBL8452571

SCHEMBL8452571

CCc1ccc(CCC2CCC(CCc3ccc(CCc4ccc(Cl)c(F)c4)cc3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.36
FPR2 P25090 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOB P27338 4/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAOA P21397 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
KCNH2 Q12809 1/20 0.34
PNMT P11086 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL8452565 1.00 PROKR1 (0.36) PROKR1FPR2TAAR1MAOBSLC6A2
SCHEMBL8452102 0.94 HTR2A (0.38) PROKR1FPR2MAOBSLC6A2SLC6A4
SCHEMBL8447603 0.94 PROKR1 (0.33) PROKR1FPR2TAAR1MAOBSLC6A2
SCHEMBL8452100 0.94 HTR2A (0.38) PROKR1FPR2MAOBSLC6A2SLC6A4
SCHEMBL8447607 0.94 PROKR1 (0.33) PROKR1FPR2TAAR1MAOBSLC6A2
SCHEMBL8451081 0.92 SPHK1 (0.36) PROKR1FPR2
SCHEMBL8451079 0.92 SPHK1 (0.36) PROKR1FPR2
SCHEMBL8447260 0.91 MAOB (0.44) PROKR1FPR2TAAR1MAOBSLC6A2
SCHEMBL8447263 0.91 MAOB (0.44) PROKR1FPR2TAAR1MAOBSLC6A2
SCHEMBL8452486 0.89 SIGMAR1 (0.38) PROKR1FPR2MAOBSLC6A2SLC6A4

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