SCHEMBL30414213

SCHEMBL30414213

COc1cccc(NC(=O)C2c3ccccc3C(=O)N2C2CCN(Cc3ccc(Cl)c(C)c3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 10/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACKR3 P25106 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GAA P10253 1/20 0.43
FAAH O00519 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
SCHEMBL29012685 1.00 CCR3 (0.53) CCR3MEN1KMT2ATP53HTT
SCHEMBL30414968 0.89 CCR3 (0.49) CCR3KMT2A
SCHEMBL29012676 0.89 CCR3 (0.49) CCR3KMT2A
SCHEMBL29012688 0.87 CCR3 (0.48) CCR3FAAH
SCHEMBL30414210 0.87 CCR3 (0.48) CCR3FAAH
SCHEMBL29012670 0.85 CCR3 (0.51) CCR3
SCHEMBL30413472 0.85 CCR3 (0.51) CCR3
SCHEMBL29012696 0.81 TSHR (0.62) CCR3TP53HTTTSHRACKR3
SCHEMBL30414906 0.81 TSHR (0.62) CCR3TP53HTTTSHRACKR3
SCHEMBL29012681 0.81 CCR3 (0.49) 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
CN-116217543-A Novel CCR3 inhibitor compound and application thereof 成都康弘药业集团股份有限公司 2023-06-06 CN disclosed