SCHEMBL16349463

SCHEMBL16349463

CO[C@@H]1CN(C2CCN(C(=O)c3ccnc4ccccc34)CC2)C[C@H]1Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 10/20 0.71
▸ CHRM2 P08172 5/20 0.57
▸ CYP2C9 P11712 2/20 0.44
▸ TACR1 P25103 1/20 0.42
▸ MBTD1 Q05BQ5 1/20 0.42
▸ TP53BP1 Q12888 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL13389936 1.00 CCR3 (0.71) CCR3CHRM2CYP2C9TACR1MBTD1
SCHEMBL16349449 0.89 CCR3 (0.90) CCR3CHRM2
SCHEMBL13389623 0.89 CCR3 (0.90) CCR3CHRM2
SCHEMBL13407807 0.83 CCR3 (1.00) CCR3CHRM2
SCHEMBL13389201 0.83 CCR3 (1.00) CCR3CHRM2
SCHEMBL13889152 0.81 CCR3 (0.69) CCR3CHRM2CYP2C9
SCHEMBL13389931 0.80 CCR3 (0.72) CCR3
SCHEMBL16349433 0.80 CCR3 (0.72) CCR3
SCHEMBL13889079 0.74 CCR3 (0.82) CCR3CHRM2
SCHEMBL13407805 0.74 CCR3 (0.83) CCR3

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
US-7705153-B2 Bipiperdine derivatives useful as CCR3 antagonists SCHERING CORPORATION (US) 2010-04-27 — — US disclosed
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