SCHEMBL8094546

SCHEMBL8094546

CCCc1ccccc1Cc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
HTR2A P28223 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
IDO1 P14902 2/20 0.42
DAO P14920 2/20 0.41
MPO P05164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LTA4H P09960 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL8100890 0.95 LTA4H (0.46) TAAR1HTR2ACNR1CNR2IDO1
SCHEMBL8093556 0.90 CNR1 (0.46) TAAR1HTR2ACNR1CNR2IDO1
SCHEMBL8094294 0.88 CNR1 (0.51) TAAR1CNR1CNR2
SCHEMBL8096568 0.87 DAO (0.47) TAAR1CNR1CNR2IDO1DAO
SCHEMBL8101769 0.87 CNR1 (0.50) TAAR1CNR1CNR2
SCHEMBL8099977 0.87 CNR1 (0.50) TAAR1CNR1CNR2
SCHEMBL8093704 0.87 CNR1 (0.50) TAAR1CNR1CNR2
SCHEMBL8099920 0.86 TAAR1 (0.44) TAAR1CNR1CNR2IDO1DAO
SCHEMBL8101996 0.85 LTA4H (0.44) TAAR1HTR2ACNR1CNR2LTA4H
SCHEMBL8094916 0.85 CNR1 (0.44) TAAR1HTR2ACNR1CNR2IDO1

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