SCHEMBL30211802

SCHEMBL30211802

Nc1ccc2c(c1)-c1nc(SCC(=O)NC[C@H]3CN(Cc4ccc(Cl)c(Cl)c4)CCO3)sc1C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.49
CCR1 P32246 5/20 0.49
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL1812145 1.00 CCR3 (0.49) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1812149 1.00 CCR3 (0.49) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1814456 0.94 CCR3 (0.48) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1814452 0.94 CCR3 (0.48) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1812419 0.90 CCR3 (0.44) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1812420 0.90 CCR3 (0.44) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1812124 0.84 CCR3 (0.69) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1812120 0.84 CCR3 (0.69) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL1814223 0.84 CCR3 (0.43) CCR3CCR1ALDH1A1MEN1KMT2A
SCHEMBL13828234 0.84 ALDH1A1 (0.36) CCR3CCR1ALDH1A1MEN1KMT2A

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-4164643-A1 METHODS OF IMPROVING RETINA-ASSOCIATED DISEASE OUTCOME USING CCR3-INHIBITORS Alkahest, Inc. (US) 2023-04-19 EP disclosed
CN-115697334-A Methods of improving retinal related disease outcomes using CCR3 inhibitors 万能溶剂有限公司 2023-02-03 CN disclosed