SCHEMBL8667143

SCHEMBL8667143

O=CCCCc1cccc2c1-c1ccccc1C2C(=O)N(CC(F)(F)F)N1CCC(NC(=O)c2ccccc2Oc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 7/20 0.40
▸ KDM5A P29375 1/20 0.35
▸ HTR7 P34969 6/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGDS O60760 1/20 0.31
▸ SLC6A12 P48065 1/20 0.31

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
SCHEMBL8482587 0.96 CCR3 (0.43) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8665520 0.85 CCR3 (0.42) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8665531 0.84 CCR3 (0.41) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8717987 0.81 CCR3 (0.44) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8712541 0.80 CCR3 (0.44) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8653118 0.75 CCR3 (0.43) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8667924 0.73 CCR3 (0.48) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8665883 0.73 NPSR1 (0.37) CCR3DRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL8663914 0.73 CCR3 (0.47) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8664874 0.73 DRD2 (0.33) CCR3KDM5ADRD2MEN1KMT2A

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 disclosed
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