SCHEMBL8668024

SCHEMBL8668024

CCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c3ccccc3Oc3ccccc3)C1=O)c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SCN1A P35498 1/20 0.32
▸ SCN2A Q99250 1/20 0.32
▸ SCN3A Q9NY46 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ KDM5A P29375 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ HTR6 P50406 1/20 0.30
▸ MAPK8 P45983 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL8665495 0.89 CCR2 (0.35) NPSR1GAA
SCHEMBL8717987 0.87 CCR3 (0.44) CCR3KDM4EMAPTKDM5AHTT
SCHEMBL8482402 0.87 CCR3 (0.35) CCR3L3MBTL1NPSR1SCN1ASCN2A
SCHEMBL8665520 0.86 CCR3 (0.42) CCR3L3MBTL1NPSR1KDM4EKDM5A
SCHEMBL8712541 0.85 CCR3 (0.44) CCR3L3MBTL1NPSR1KDM4EMAPT
SCHEMBL8665531 0.84 CCR3 (0.41) CCR3L3MBTL1NPSR1KDM4EKDM5A
SCHEMBL8668018 0.82 MAPT (0.39) CCR3L3MBTL1NPSR1SCN1ASCN2A
SCHEMBL8577131 0.79 GAA (0.34) L3MBTL1NPSR1TSHRALDH1A1GAA
SCHEMBL8574668 0.79 GAA (0.36) L3MBTL1NPSR1TSHRALDH1A1GAA
SCHEMBL8653118 0.77 CCR3 (0.43) CCR3L3MBTL1NPSR1KDM4EALDH1A1

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-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US claimed
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