SCHEMBL30414906

SCHEMBL30414906

Cc1cc(CN2CCC(N3C(=O)c4ccccc4C3C(=O)NC3CCCCC3)CC2)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.62
CCR3 P51677 4/20 0.54
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACKR3 P25106 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL29012696 1.00 TSHR (0.62) TSHRCCR3TP53HTTL3MBTL1
SCHEMBL29012683 0.90 NR2F2 (0.49) TSHRCCR3
SCHEMBL30413973 0.90 NR2F2 (0.49) TSHRCCR3
SCHEMBL30414968 0.82 CCR3 (0.49) CCR3
SCHEMBL29012676 0.82 CCR3 (0.49) CCR3
SCHEMBL30414213 0.81 CCR3 (0.53) TSHRCCR3TP53HTTACKR3
SCHEMBL29012685 0.81 CCR3 (0.53) TSHRCCR3TP53HTTACKR3
SCHEMBL29012688 0.80 CCR3 (0.48) CCR3
SCHEMBL30414210 0.80 CCR3 (0.48) CCR3
SCHEMBL29012681 0.80 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