SCHEMBL7486188

SCHEMBL7486188

CC(C)c1nc2ccc(O)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.39
ESR2 Q92731 2/20 0.39
HTR6 P50406 1/20 0.37
NR1H2 P55055 7/20 0.36
ESR1 P03372 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP10 P09238 1/20 0.35
MMP12 P39900 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
NR1H3 Q13133 1/20 0.33

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
SCHEMBL7476585 0.87 ESR2 (0.36) CNR2ESR2HTR6NR1H2TRPV3
SCHEMBL7480954 0.83 ESR2 (0.41) ESR2HTR6NR1H2GABRG2GABRB3
SCHEMBL7483480 0.82 CNR2 (0.41) CNR2ESR2HTR6NR1H2GABRG2
SCHEMBL7482600 0.81 CNR2 (0.41) CNR2ESR2HTR6NR1H2TRPV3
SCHEMBL7477884 0.80 HTR6 (0.39) ESR2HTR6NR1H2ESR1GABRG2
SCHEMBL7482978 0.80 ESR2 (0.39) ESR2HTR6NR1H2GABRG2GABRB3
SCHEMBL7473742 0.78 CNR2 (0.41) CNR2ESR2HTR6NR1H2ESR1
SCHEMBL7479418 0.77 TLR9 (0.33) CNR2ESR2NR1H2TRPV3GABRG2
SCHEMBL7481010 0.76 CHEK2 (0.51)
SCHEMBL7486828 0.76 CNR2 (0.43) CNR2ESR2HTR6NR1H2ESR1

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
EP-0865281-B1 NAPHTHYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES AS ANTICOAGULANTS BERLEX LAB (US) 2002-04-03 EP disclosed
US-5849759-A Naphthyl-substituted benzimidazole derivatives as anti-coagulants BERLEX LABORATORIES, INC. (US) 1998-12-15 US disclosed