SCHEMBL1845558

SCHEMBL1845558

CCC(NC(=O)c1cccc2ccc(C(C)(C)C(F)(F)F)nc12)c1cnn(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
KCNA5 P22460 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 3/20 0.33
PDE2A O00408 5/20 0.33
BRPF1 P55201 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33
ROCK1 Q13464 2/20 0.33
FGFR4 P22455 1/20 0.33
MAPKAPK2 P49137 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
SCHEMBL1844261 0.80 BRPF1 (0.43) CCR1MAPK1BRPF1
SCHEMBL2011432 0.80 BRPF1 (0.43) CCR1MAPK1BRPF1
SCHEMBL1839734 0.80 CCR1 (0.36) CCR1KDM4EALDH1A1MAPTBRPF1
SCHEMBL1839936 0.80 KDM4E (0.35) CCR1KDM4EALDH1A1MAPTMAPK1
SCHEMBL1842532 0.80 KDM4E (0.36) CCR1KDM4EALDH1A1MAPTFGFR4
SCHEMBL1841391 0.80 CCR1 (0.39) CCR1KDM4EALDH1A1MAPTFGFR4
SCHEMBL1844082 0.80 ALDH1A1 (0.45) CCR1KDM4EALDH1A1MAPTBRPF1
SCHEMBL1842876 0.79 KDM4E (0.47) CCR1KDM4EALDH1A1MAPTBRPF1
SCHEMBL1842443 0.79 MAPT (0.36) CCR1KDM4EALDH1A1MAPTMAPK1
SCHEMBL1842383 0.78 CCR1 (0.36) CCR1KDM4EALDH1A1MAPTMAPK1

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-2091944-B1 SUBSTITUTED BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2011-05-18 EP claimed