SCHEMBL4072949

SCHEMBL4072949

Cc1cccc(C)c1C(=O)Nc1ccc(N(C)C2CCCCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.49
PIK3CA P42336 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPK7 Q13164 1/20 0.45
HPGD P15428 1/20 0.44
LCK P06239 4/20 0.42
JAK3 P52333 4/20 0.42
MTOR P42345 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
S1PR3 Q99500 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL4068903 0.88 NPC1 (0.51) S1PR1PIK3CATRPV1HPGDMTOR
SCHEMBL4063941 0.88 S1PR1 (0.51) S1PR1TRPV1MAPK7HPGDLCK
SCHEMBL4069506 0.80 SMN1; SMN2 (0.54) S1PR1TRPV1MAPK7HPGDLMNA
SCHEMBL4064073 0.78 S1PR1 (0.50) S1PR1TRPV1TP53
SCHEMBL4061052 0.76 NAMPT (0.49) S1PR1PIK3CAMAPK7MTOR
SCHEMBL17607243 0.73 MAPK7 (0.47) S1PR1PIK3CATRPV1MAPK7MTOR
SCHEMBL846037 0.72 TRPV1 (0.80) TRPV1
SCHEMBL13229353 0.70 POLB (0.53) MAPK7LMNA
SCHEMBL5483909 0.70 SMN1; SMN2 (0.53) LMNATP53
SCHEMBL4063151 0.69 P4HTM (0.43) HPGDRXFP1LMNATP53

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
EP-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed