SCHEMBL8501052

SCHEMBL8501052

CCCCCc1cccc2c1C(C(=O)N(CC(F)(F)F)N1CC(NC(=O)c3ccccc3)C1)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CYSLTR2 Q9NS75 2/20 0.32
▸ CYSLTR1 Q9Y271 2/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ MTTP P55157 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TAOK1 Q7L7X3 1/20 0.31
▸ TAOK3 Q9H2K8 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL8501239 0.98 NPSR1 (0.33) NPSR1HPGDGAACHRM1NAAA
SCHEMBL8666099 0.94 NPSR1 (0.36) NPSR1CHRM1DRD2DRD4POLB
SCHEMBL8484461 0.92 NPSR1 (0.39) NPSR1GAAPOLB
SCHEMBL8665883 0.92 NPSR1 (0.37) NPSR1CHRM1DRD2DRD4POLB
SCHEMBL8485545 0.90 NPSR1 (0.40) NPSR1GAAPOLB
SCHEMBL8502242 0.88 NPSR1 (0.35) NPSR1HPGDGAACHRM1NAAA
SCHEMBL8501003 0.87 CTSL (0.36) NAAACYP1A2CYP3A4CYP2C9TSHR
SCHEMBL8504383 0.85 CCR3 (0.38) DRD2DRD4CYP1A2CYP3A4CYP2C9
SCHEMBL8665531 0.83 CCR3 (0.41) NPSR1DRD2
SCHEMBL8669690 0.82 UTS2R (0.39) NPSR1HPGDGAACHRM1DRD2

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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