SCHEMBL8666998

SCHEMBL8666998

O=CNCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4ccccc4Oc4ccccc4)C3)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 4/20 0.40
▸ KDM5A P29375 1/20 0.36
▸ HTR7 P34969 6/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SLC6A12 P48065 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32

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
SCHEMBL8524381 0.96 CCR3 (0.42) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8665515 0.90 CCR3 (0.41) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8665525 0.90 CCR3 (0.40) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8665477 0.89 DRD2 (0.37) CCR3DRD2
SCHEMBL8717983 0.86 CCR3 (0.43) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8712537 0.85 CCR3 (0.43) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8717870 0.85 NPSR1 (0.38) CCR3DRD2MEN1KMT2ASLC6A12
SCHEMBL8665880 0.81 UTS2R (0.39) DRD2
SCHEMBL8666092 0.80 UTS2R (0.39) DRD2
SCHEMBL8664869 0.78 SMPD3 (0.38) KDM5A

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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