SCHEMBL11097602

SCHEMBL11097602

COc1ccc(CN2C3CCC2C(C#N)C(C#N)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
CYP3A4 P08684 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CXCR4 P61073 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL11266772 0.79 LTA4H (0.48) LTA4HCYP3A4SIGMAR1CXCR4L3MBTL1
SCHEMBL24976330 0.77 LTA4H (0.46) LTA4HCYP3A4SIGMAR1CXCR4
SCHEMBL24975784 0.77 LTA4H (0.46) LTA4HCYP3A4SIGMAR1CXCR4
SCHEMBL4851071 0.72 LTA4H (0.51) LTA4HCYP3A4SIGMAR1CXCR4L3MBTL1
SCHEMBL11094109 0.68 LTA4H (0.58) LTA4HCYP3A4CXCR4L3MBTL1ALDH1A1
SCHEMBL24135073 0.66 SIGMAR1 (0.50) CYP3A4SIGMAR1ALDH1A1
SCHEMBL24976021 0.66 L3MBTL1 (0.53) LTA4HCYP3A4CXCR4L3MBTL1ALDH1A1
SCHEMBL24977220 0.66 L3MBTL1 (0.53) LTA4HCYP3A4CXCR4L3MBTL1ALDH1A1
SCHEMBL24975769 0.66 L3MBTL1 (0.53) LTA4HCYP3A4CXCR4L3MBTL1ALDH1A1
SCHEMBL19582434 0.65 SIGMAR1 (0.58) LTA4HSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031219-B1 ANILINE DERIVATIVES BEECHAM GROUP PLC (GB) 1984-03-07 EP disclosed