SCHEMBL8665587

SCHEMBL8665587

CCCCc1c(N2CCC(NS(=O)(=O)c3ccccc3)C2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ CTSB P07858 3/20 0.34
▸ CTSK P43235 3/20 0.34
▸ UCHL1 P09936 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ CTSC P53634 2/20 0.34
▸ USP30 Q70CQ3 2/20 0.34
▸ CTSL P07711 1/20 0.34
▸ SFRP1 Q8N474 4/20 0.34
▸ WNT3 P56703 3/20 0.34
▸ SMPD3 Q9NY59 1/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ HTR1A P08908 3/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 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
SCHEMBL8712881 0.95 POLB (0.35) POLBSFRP1WNT3HTR7DRD2
SCHEMBL8665881 0.87 DRD2 (0.37) AKT1POLBCTSBCTSKCTSL
SCHEMBL8664872 0.85 SMPD2 (0.37) POLBSMPD3
SCHEMBL8666097 0.84 DRD2 (0.36) AKT1POLBCTSBCTSKCTSL
SCHEMBL8593680 0.82 POLB (0.42) POLBDRD2DRD4DRD3
SCHEMBL8665519 0.82 CCR3 (0.40) HTR7DRD2HTR1AHTR6
SCHEMBL8501237 0.82 MTTP (0.36) POLBDRD2DRD4DRD3
SCHEMBL8713182 0.81 CKS1B (0.38) POLBDRD2HTR1ADRD4DRD3
SCHEMBL8665528 0.80 CCR3 (0.40) HTR7DRD2HTR1AHTR6
SCHEMBL8501050 0.79 MTTP (0.36) POLBDRD2DRD4DRD3

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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