SCHEMBL8450965

SCHEMBL8450965

Cc1ccc(CCC2CCC(CCc3cc(F)c(CCc4cc(F)c(Cl)c(F)c4)c(F)c3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
FAAH O00519 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
P2RX3 P56373 2/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MAOA P21397 1/20 0.31
ENPP2 Q13822 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
SCHEMBL8450962 1.00 MAOB (0.41) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8454135 0.95 MAOB (0.45) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8454128 0.95 MAOB (0.45) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8447383 0.92 MAOB (0.41) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8447386 0.92 MAOB (0.41) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8447398 0.90 ESR2 (0.33) MAOB
SCHEMBL8447395 0.90 ESR2 (0.33) MAOB
SCHEMBL8453568 0.90 MAOB (0.40) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8453562 0.90 MAOB (0.40) MAOBCYP1A2CYP2A6TAAR1SLC6A2
SCHEMBL8452548 0.90 MAOB (0.33) MAOBTAAR1SLC6A2SLC6A4SLC6A3

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