SCHEMBL8447396

SCHEMBL8447396

Cc1ccc(CC[C@H]2CC[C@H](CCc3ccc(-c4ccc(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
PROKR1 Q8TCW9 3/20 0.34
FPR2 P25090 2/20 0.34
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
CHKA P35790 1/20 0.34
CHRM4 P08173 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
S1PR1 P21453 2/20 0.33
BACE1 P56817 1/20 0.33
CCR3 P51677 1/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL8447399 1.00 MAOB (0.38) MAOBSLC6A2SLC6A4SLC6A3PTGES2
SCHEMBL8454601 0.92 CYP3A4 (0.35) MAOBSLC6A2SLC6A4SLC6A3PTGES2
SCHEMBL8454595 0.92 CYP3A4 (0.35) MAOBSLC6A2SLC6A4SLC6A3PTGES2
SCHEMBL8453499 0.91 MAOA (0.38) MAOBGPR84PROKR1FPR2CHKA
SCHEMBL8452670 0.91 CYP11B1 (0.35) GPR84PROKR1FPR2CHKACYP11B1
SCHEMBL8452674 0.91 CYP11B1 (0.35) GPR84PROKR1FPR2CHKACYP11B1
SCHEMBL8453505 0.91 MAOA (0.38) MAOBGPR84PROKR1FPR2CHKA
SCHEMBL8971558 0.89 CYP11B1 (0.36) GPR84PROKR1FPR2CHKACYP11B1
SCHEMBL8971545 0.89 CYP11B1 (0.36) GPR84PROKR1FPR2CHKACYP11B1
SCHEMBL8451888 0.89 MAOB (0.42) MAOBSLC6A2SLC6A4SLC6A3GPR84

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