SCHEMBL5742996

SCHEMBL5742996

CSCCC(CN1CCC(CNC(=O)n2c(=O)[nH]c3ccccc32)CC1)NC(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39
PLD2 O14939 2/20 0.37
PLD1 Q13393 2/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR4 Q13639 2/20 0.36

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
SCHEMBL5740967 0.85 HTR4 (0.41) CCR3L3MBTL1BRD4ALDH1A1HTR4
SCHEMBL18626130 0.76 PLD1 (0.49) CCR3HRH1KCNH2PLD2PLD1
SCHEMBL5743742 0.74 HTR4 (0.43) CCR3L3MBTL1BRD4ALDH1A1HTR4
SCHEMBL6582857 0.73 NPSR1 (0.44) CCR3KMT2A
Hydrochloric Acid SCHEMBL7422509 0.72 KDM4E (0.58) PLD2PLD1ALDH1A1HTR4
SCHEMBL5742835 0.72 HTR4 (0.42) CCR3L3MBTL1BRD4ALDH1A1HTR4
SCHEMBL18626125 0.71 HTR4 (0.45) CCR3HRH1KCNH2PLD2PLD1
SCHEMBL2360481 0.70 HTR4 (0.60) CCR3HRH1KCNH2PLD2PLD1
SCHEMBL5742333 0.70 HTR4 (0.40) CCR3BRD4HTR4
SCHEMBL20847333 0.66 HTR4 (0.43) CCR3HRH1KCNH2PLD2PLD1

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-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP claimed
EP-0903349-B1 CCR-3 receptor antagonists HOFFMANN LA ROCHE (CH) 2006-01-04 EP disclosed