SCHEMBL8501048

SCHEMBL8501048

CCCCCN(CC(F)(F)F)C(=O)C1c2ccccc2-c2cccc(N3CC(NC(=O)c4ccccc4)C3)c21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TACR1 P25103 4/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CCKAR P32238 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ NAAA Q02083 1/20 0.32
▸ HTR2A P28223 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
SCHEMBL8501233 0.98 NPSR1 (0.36) NPSR1UTS2RHPGDKCNH2SCN9A
SCHEMBL8666092 0.94 UTS2R (0.39) NPSR1UTS2RCHRM1
SCHEMBL8484454 0.92 NPSR1 (0.42) NPSR1UTS2RSCN9AHTR2A
SCHEMBL8665880 0.91 UTS2R (0.39) NPSR1UTS2RCHRM1
SCHEMBL8485533 0.90 NPSR1 (0.42) NPSR1UTS2RSCN9AHTR2A
SCHEMBL8502237 0.88 NPSR1 (0.38) NPSR1UTS2RHPGDKCNH2SCN9A
SCHEMBL8500996 0.86 CTSL (0.37) NAAAHTR2A
SCHEMBL8504375 0.85 CCR3 (0.38) NPSR1UTS2R
SCHEMBL8665525 0.83 CCR3 (0.40) NPSR1
SCHEMBL8669685 0.82 NPSR1 (0.42) NPSR1UTS2RCHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US claimed
US-5885983-A ANTICHOLESTEROL AGENTS, ANTILIPOLYTIC AGENTS, ANTILIPEMIC AGENTS FOR TREATING HYPERLIPEMIA, ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-23 — — US disclosed
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