SCHEMBL8096717

SCHEMBL8096717

CCCCc1cccc(Cc2cccc(C)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
LPL P06858 2/20 0.45
LIPG Q9Y5X9 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
SKP2 Q13309 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DAO P14920 1/20 0.44
IDO1 P14902 2/20 0.43
XIAP P98170 1/20 0.42

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
SCHEMBL8093858 0.95 TAAR1 (0.52) TAAR1CNR1CNR2LPLLIPG
SCHEMBL8095815 0.93 LPL (0.53) TAAR1CNR1CNR2LPLLIPG
SCHEMBL8086306 0.93 LPL (0.53) TAAR1CNR1CNR2LPLLIPG
SCHEMBL8098390 0.93 LPL (0.53) TAAR1CNR1CNR2LPLLIPG
SCHEMBL30869992 0.92 TAAR1 (0.61) TAAR1LPLLIPGHRH3SKP2
SCHEMBL167733 0.92 TAAR1 (0.61) TAAR1LPLLIPGHRH3SKP2
SCHEMBL5433566 0.90 LPL (0.52) LPLLIPGSKP2NPC1HPGD
SCHEMBL8085161 0.89 TAAR1 (0.57) TAAR1HRH3DAOIDO1XIAP
SCHEMBL8094986 0.86 LPL (0.49) LPLLIPGSKP2NPC1HPGD
SCHEMBL598872 0.86 TAAR1 (0.59) TAAR1CNR1CNR2LPLLIPG

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