SCHEMBL8665528

SCHEMBL8665528

CCCCCc1c(N2CCC(NC(=O)c3ccccc3Oc3ccccc3)C2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 5/20 0.40
▸ KDM5A P29375 2/20 0.37
▸ HTR7 P34969 7/20 0.37
▸ HTR1A P08908 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL8665519 0.98 CCR3 (0.40) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8712539 0.96 CCR3 (0.42) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8717984 0.94 CCR3 (0.42) CCR3KDM5AHTR7HTR1ADRD2
SCHEMBL8666097 0.89 DRD2 (0.36) DRD2
SCHEMBL8665881 0.87 DRD2 (0.37) DRD2
SCHEMBL8664872 0.86 SMPD2 (0.37) KDM5A
SCHEMBL8482397 0.85 CCR3 (0.35) CCR3KDM5ATSHR
SCHEMBL8668022 0.85 FPR1 (0.36) CCR3TSHR
SCHEMBL8501050 0.83 MTTP (0.36) DRD2
SCHEMBL8653115 0.83 CCR3 (0.43) CCR3KDM5AHTR7HTR1ADRD2

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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