SCHEMBL8095083

SCHEMBL8095083

CCCC(c1ccc(N)cc1)c1ccc(C(CCC)c2ccc(C(CCC)c3ccc(N)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYP19A1 P11511 1/20 0.42
HRH1 P35367 4/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
GFER P55789 2/20 0.38
PSMD14 O00487 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A3 Q01959 1/20 0.38
AOC3 Q16853 2/20 0.37
HTR2A P28223 3/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL6130573 1.00 CNR1 (0.42) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8093683 0.94 CNR1 (0.39) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8087187 0.94 CNR1 (0.39) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8102252 0.92 CYP19A1 (0.38) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8102152 0.92 CYP19A1 (0.45) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8096404 0.92 CYP19A1 (0.38) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8094152 0.92 CYP19A1 (0.45) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL27498042 0.92 ACHE (0.52) CNR1CNR2CYP19A1HRH1MAPT
SCHEMBL8092539 0.90 CYP3A4 (0.54) CNR1CNR2CYP19A1MAPTTDP1
SCHEMBL8086523 0.90 CYP19A1 (0.44) CNR1CNR2CYP19A1HRH1MAPT

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