SCHEMBL8267809

SCHEMBL8267809

COc1cccc(N(C(=O)c2cnc(N3CCCCC3)nc2C2=C(Cl)CCC=C2)C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ CAMK1D Q8IU85 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ ATF1 P18846 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 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
SCHEMBL11923203 0.84 GPBAR1 (0.42) MAPTCAMK1DOPRM1L3MBTL1KDM4E
SCHEMBL11923182 0.83 GPBAR1 (0.42) MAPTCAMK1DOPRM1L3MBTL1KDM4E
SCHEMBL11923168 0.82 GPBAR1 (0.42) MAPTCAMK1DOPRM1LMNAL3MBTL1
SCHEMBL8267650 0.82 GPBAR1 (0.42) MAPTCAMK1DOPRM1LMNAL3MBTL1
SCHEMBL8267722 0.81 FFAR1 (0.39) MAPTCAMK1DOPRM1L3MBTL1KDM4E
SCHEMBL11923243 0.80 FFAR1 (0.39) MAPTCAMK1DOPRM1POLBL3MBTL1
SCHEMBL11923297 0.80 GPBAR1 (0.41) MAPTCAMK1DOPRM1MAPK1TSHR
SCHEMBL11923189 0.79 L3MBTL1 (0.39) MAPTCAMK1DOPRM1POLBL3MBTL1
SCHEMBL8266507 0.79 L3MBTL1 (0.39) MAPTCAMK1DOPRM1POLBL3MBTL1
SCHEMBL8266187 0.78 MAPT (0.37) MAPTMAPK1LMNAPOLBL3MBTL1

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
WO-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 — — WO disclosed
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