SCHEMBL29658345

SCHEMBL29658345

C[C@@H]1CCN(CCNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.51
KCNH2 Q12809 7/20 0.49
CACNA1I Q9P0X4 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CACNA1H O95180 5/20 0.43
CYP2D6 P10635 5/20 0.43
CD274 Q9NZQ7 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
EPHX2 P34913 3/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28735297 1.00 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL29658390 1.00 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL28735376 1.00 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL28735377 1.00 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL28735409 0.91 MEN1 (0.47) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL29658337 0.91 MEN1 (0.47) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL28735439 0.89 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL29658425 0.89 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL29658376 0.89 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1
SCHEMBL28735451 0.89 CCR2 (0.51) CCR2KCNH2CACNA1IKMT2AMEN1

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
CN-114478366-A Pyridone derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-13 CN disclosed