SCHEMBL3396893

SCHEMBL3396893

Cc1nc(-c2cc(F)cc(F)c2)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.48
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.46
CHRM4 P08173 3/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAP4K4 O95819 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STAT3 P40763 2/20 0.42
PARP1 P09874 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3405210 0.87 CHRM4 (0.51) NPSR1CHRM4NPC1HPGDGAA
SCHEMBL3400096 0.86 CHRM4 (0.49) SCN9ANPSR1TSHRCHRM4NPC1
SCHEMBL3405249 0.86 CHRM4 (0.53) NPSR1CHRM4NPC1GAAMEN1
SCHEMBL3405545 0.86 CHRM4 (0.50) SCN9ANPSR1CHRM4NPC1HPGD
SCHEMBL3400929 0.85 SCN9A (0.49) SCN9ANPSR1TSHRCHRM4NPC1
SCHEMBL3399475 0.84 CHRM4 (0.51) SCN9ANPSR1TSHRCHRM4NPC1
SCHEMBL3402600 0.84 CHRM4 (0.49) SCN9ANPSR1TSHRCHRM4NPC1
SCHEMBL3401313 0.83 SCN9A (0.47) SCN9ANPSR1TSHRCHRM4STAT3
SCHEMBL3405409 0.83 SCN9A (0.47) SCN9ANPSR1TSHRCHRM4STAT3
SCHEMBL3404043 0.83 SMN1; SMN2 (0.60) NPSR1CHRM4NPC1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed