SCHEMBL8101583

SCHEMBL8101583

CCCCCC(c1ccc(C(C)c2ccc(N)cc2)cc1)c1ccc(C(C)c2ccc(N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
HTR2A P28223 4/20 0.38
OPRM1 P35372 1/20 0.38
SLC2A1 P11166 1/20 0.37
CSNK1E P49674 1/20 0.37
HRH1 P35367 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
MAPT P10636 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR1I2 O75469 1/20 0.33
TLR8 Q9NR97 1/20 0.33

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
SCHEMBL8087446 1.00 CYP19A1 (0.42) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8094214 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8098568 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8097920 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8094697 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8086031 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8094161 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8102379 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8094274 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1
SCHEMBL8093791 0.98 CYP19A1 (0.41) CYP19A1SIGMAR1HTR2AOPRM1SLC2A1

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 4 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-5807961-A Polyamic acid, polyimide film and liquid crystal aligning film and liquid crystal display element using the formers CHISSO CORPORATION (JP) 1998-09-15 US 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