SCHEMBL8094664

SCHEMBL8094664

CCCCCc1ccccc1Cc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
GPR55 Q9Y2T6 1/20 0.46
TAAR1 Q96RJ0 1/20 0.44
TLR8 Q9NR97 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
CYSLTR2 Q9NS75 4/20 0.41
CYSLTR1 Q9Y271 4/20 0.41
TYR P14679 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL8101502 0.98 LIPG (0.53) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8094044 0.98 LIPG (0.53) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8100459 0.98 LIPG (0.53) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL6546227 0.94 TAAR1 (0.45) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8102294 0.93 LIPG (0.47) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8093950 0.91 LIPG (0.50) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8102572 0.91 LIPG (0.50) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8099750 0.91 LIPG (0.50) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8085404 0.90 LIPG (0.59) LIPGTLR8NR1H2NR1H3ALOX5
SCHEMBL8093678 0.88 LIPG (0.62) LIPGTLR8NR1H2NR1H3ALOX5

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
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed