SCHEMBL8717870

SCHEMBL8717870

O=CNCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CCC(NC(=O)c4ccccc4)CC3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MCHR1 Q99705 5/20 0.38
▸ DRD2 P14416 3/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ SCN1A P35498 1/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CCR3 P51677 2/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SLC6A12 P48065 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ DRD4 P21917 2/20 0.35

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
SCHEMBL8665477 0.95 DRD2 (0.37) NPSR1MCHR1DRD2SCN1ASCN5A
SCHEMBL8524381 0.89 CCR3 (0.42) NPSR1DRD2CCR3SLC6A12KMT2A
SCHEMBL8485533 0.89 NPSR1 (0.42) NPSR1MCHR1DRD2DRD3SCN1A
SCHEMBL8484454 0.88 NPSR1 (0.42) NPSR1MCHR1DRD2DRD3SCN1A
SCHEMBL8666998 0.85 CCR3 (0.40) DRD2CCR3SLC6A12KMT2AMEN1
SCHEMBL8665880 0.84 UTS2R (0.39) NPSR1MCHR1DRD2CKS1BSKP1
SCHEMBL8666092 0.84 UTS2R (0.39) NPSR1MCHR1DRD2CKS1BSKP1
SCHEMBL8501233 0.81 NPSR1 (0.36) NPSR1DRD2DRD3SCN9AHTR2A
SCHEMBL8501048 0.80 NPSR1 (0.35) NPSR1SCN9AHTR2A
SCHEMBL8717983 0.78 CCR3 (0.43) NPSR1DRD2CCR3SLC6A12KMT2A

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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