SCHEMBL8094044

SCHEMBL8094044

CCCCCCc1ccccc1Cc1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
GPR55 Q9Y2T6 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
CYSLTR2 Q9NS75 5/20 0.43
CYSLTR1 Q9Y271 5/20 0.43
TAAR1 Q96RJ0 1/20 0.42
TYR P14679 1/20 0.42
TLR8 Q9NR97 1/20 0.42
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41

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 1.00 LIPG (0.53) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL8100459 1.00 LIPG (0.53) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL8094664 0.98 LIPG (0.50) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL8093950 0.93 LIPG (0.50) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL8099750 0.93 LIPG (0.50) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL8102572 0.93 LIPG (0.50) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL6546227 0.92 TAAR1 (0.45) LIPGCNR1CNR2GPR55TAAR1
SCHEMBL8102294 0.91 LIPG (0.47) LIPGCNR1CNR2GPR55NR1H2
SCHEMBL8099869 0.90 LIPG (0.62) LIPGNR1H2NR1H3CYSLTR2CYSLTR1
SCHEMBL8099162 0.90 LIPG (0.62) LIPGNR1H2NR1H3CYSLTR2CYSLTR1

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 3 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
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed