SCHEMBL7676891

SCHEMBL7676891

CC(NC(=O)C(C)c1c[nH]c2ccccc12)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ECE1 P42892 5/20 0.40
▸ STING1 Q86WV6 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL7563351 0.85 MMP9 (0.56) MMP9MMP8FFAR1GPR84MEN1
SCHEMBL7671952 0.81 MMP9 (0.47) MMP9MMP8FFAR1GPR84MEN1
SCHEMBL7669468 0.81 MMP9 (0.58) MMP9MMP8MEN1KMT2AECE1
SCHEMBL7677146 0.78 MAPT (0.44) MMP9MMP8FFAR1GPR84MEN1
SCHEMBL7674900 0.77 MEN1 (0.49) MMP9MMP8MEN1KMT2ARAB9A
SCHEMBL7676896 0.77 MAPT (0.63) MEN1KMT2AGAA
SCHEMBL7674972 0.77 TRPV1 (0.52) ECE1GAA
SCHEMBL4001238 0.76 GPR84 (0.54) MMP9MMP8FFAR1GPR84MEN1
SCHEMBL27421440 0.74 GPR84 (0.53) FFAR1GPR84MEN1KMT2ASTING1
SCHEMBL27514167 0.72 GPR84 (0.61) FFAR1GPR84MEN1KMT2ANOD2

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-6472418-B1 Non-peptide NK1 receptors antagonists WARNER-LAMBERT COMPANY 2002-10-29 — — US disclosed
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