SCHEMBL8085161

SCHEMBL8085161

CCCc1cccc(Cc2cccc(C)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
HRH3 Q9Y5N1 1/20 0.47
DAO P14920 3/20 0.46
IDO1 P14902 2/20 0.46
ACHE P22303 1/20 0.42
XIAP P98170 1/20 0.42
LTA4H P09960 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
NR3C2 P08235 1/20 0.41
GAA P10253 1/20 0.41
GPR84 Q9NQS5 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
SCHEMBL5567849 0.94 TAAR1 (0.50) TAAR1HRH3DAOIDO1ACHE
SCHEMBL168757 0.92 TAAR1 (0.65) TAAR1HRH3DAOIDO1ACHE
SCHEMBL29462896 0.92 TAAR1 (0.65) TAAR1HRH3DAOIDO1ACHE
SCHEMBL5424543 0.89 MTNR1A (0.47) TAAR1MTNR1AMTNR1B
SCHEMBL8096717 0.89 TAAR1 (0.53) TAAR1HRH3DAOIDO1XIAP
SCHEMBL8093858 0.87 TAAR1 (0.52) TAAR1HRH3
SCHEMBL8095815 0.85 LPL (0.53) TAAR1
SCHEMBL8098390 0.85 LPL (0.53) TAAR1
SCHEMBL8086306 0.85 LPL (0.53) TAAR1
SCHEMBL8099663 0.85 MTNR1A (0.49) LTA4HMTNR1AMTNR1B

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