SCHEMBL6367676

SCHEMBL6367676

CC1CCC(C2CCC(c3ccc(Cc4cccc(N)c4)cc3N)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CYP19A1 P11511 2/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
PARP1 P09874 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL6363203 0.89 ALDH1A1 (0.39) CYP19A1GAAALDH1A1CYP17A1CYP3A4
SCHEMBL6751229 0.88 CA1 (0.38) CA1CA2CA9CYP19A1MAOA
SCHEMBL6367153 0.85 CYP2C9 (0.34) CA1CA2CA9CYP19A1MAOA
SCHEMBL6363955 0.82 GRM2 (0.34) CA1CA2CA9CYP19A1GAA
SCHEMBL6362621 0.81 GRM2 (0.36) CA1CA2CA9CYP19A1GAA
SCHEMBL6362211 0.81 GRM2 (0.36) CA1CA2CA9CYP19A1GAA
SCHEMBL6363296 0.81 GRM2 (0.36) CA1CA2CA9CYP19A1GAA
SCHEMBL6363215 0.77 ALDH1A1 (0.40) CYP19A1GAAALDH1A1CYP17A1CYP3A4
SCHEMBL7732440 0.74 CYP2C9 (0.36) GAAALDH1A1CYP3A4
SCHEMBL6363303 0.74 CYP2C9 (0.36) GAAALDH1A1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949281-B1 Varnish composition and liquid-crystal display element CHISSO CORPORATION (JP) 2005-09-27 US disclosed
US-6746730-B1 VARNISH COMPOSITION WHICH COMPRISES POLYMER COMPONENT CONTAINING TWO DIFFERENT POLYAMIC ACIDS, SOLUBLE POLYIMIDE, AND SOLVENT FOR DISSOLVING POLYMER COMPONENT CHISSO CORPORATION (JP) 2004-06-08 US disclosed