SCHEMBL13889152

SCHEMBL13889152

O=C(c1ccnc2ccccc12)N1CCC(N2CCC(Cc3ccccc3)C2)CC1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.69
▸ CHRM2 P08172 11/20 0.69
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ MAPK14 Q16539 3/20 0.48
▸ HTR2B P41595 2/20 0.48

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
SCHEMBL13889230 0.88 CCR3 (0.90) CCR3CHRM2
SCHEMBL18840752 0.82 CCR3 (1.00) CCR3CHRM2
SCHEMBL16349463 0.81 CCR3 (0.71) CCR3CHRM2CYP2C9
SCHEMBL13389936 0.81 CCR3 (0.71) CCR3CHRM2CYP2C9
SCHEMBL13889079 0.77 CCR3 (0.82) CCR3CHRM2
SCHEMBL13389350 0.76 CCR3 (0.81) CCR3CHRM2
SCHEMBL13407642 0.76 CCR3 (0.79) CCR3CHRM2
SCHEMBL13389682 0.76 CCR3 (0.79) CCR3CHRM2
SCHEMBL31395273 0.76 KMT2A (0.60) CCR3CHRM2CYP2C9
SCHEMBL13389546 0.75 CCR3 (0.78) CCR3CHRM2

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-1725235-B1 PIPERIDINE DERIVATIVES USEFUL AS CCR3 ANTAGONISTS SCHERING CORP (US) 2009-04-15 — — EP disclosed
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