SCHEMBL8714746

SCHEMBL8714746

CCCCc1cccc2c1C(C(=O)N(CCC)N1CCCC(NC(=O)c3ccccc3)C1)c1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.38
▸ PKM P14618 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34

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
SCHEMBL8669690 0.95 UTS2R (0.39) CHRM1GAAUTS2RNPSR1HPGD
SCHEMBL8502242 0.92 NPSR1 (0.35) CHRM1GAAUTS2RNPSR1HPGD
SCHEMBL8665883 0.86 NPSR1 (0.37) CHRM1UTS2RNPSR1CCR2MCHR1
SCHEMBL8666099 0.84 NPSR1 (0.36) CHRM1UTS2RNPSR1CCR2MCHR1
SCHEMBL8501239 0.83 NPSR1 (0.33) CHRM1GAAUTS2RNPSR1HPGD
SCHEMBL8480413 0.82 TMEM97 (0.35) GAA
SCHEMBL8485545 0.81 NPSR1 (0.40) GAANPSR1MCHR1POLB
SCHEMBL8501052 0.80 NPSR1 (0.33) CHRM1GAANPSR1HPGDCNR1
SCHEMBL8484461 0.79 NPSR1 (0.39) GAANPSR1MCHR1POLB
SCHEMBL8668077 0.78 OPRK1 (0.32) DRD2

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-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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