SCHEMBL3399475

SCHEMBL3399475

Cc1nc(-c2ccc(F)c(Cl)c2)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.51
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SCN9A Q15858 1/20 0.46
EPHX2 P34913 1/20 0.45
PPARA Q07869 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
MET P08581 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT1 P42224 1/20 0.42
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42

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
SCHEMBL3402417 0.94 CHRM4 (0.49) CHRM4GAASMN1; SMN2PPARAALDH1A1
SCHEMBL3403817 0.94 CHRM4 (0.49) CHRM4GAASMN1; SMN2PPARAALDH1A1
SCHEMBL3402600 0.92 CHRM4 (0.49) CHRM4GAASMN1; SMN2SCN9AEPHX2
SCHEMBL3399568 0.91 CHRM4 (0.51) CHRM4GAASMN1; SMN2SCN9APPARA
SCHEMBL3400096 0.91 CHRM4 (0.49) CHRM4GAASMN1; SMN2SCN9AEPHX2
SCHEMBL3400929 0.90 SCN9A (0.49) CHRM4GAASMN1; SMN2SCN9ATSHR
SCHEMBL3406027 0.90 CHRM4 (0.50) CHRM4GAASMN1; SMN2SCN9APPARA
SCHEMBL3402105 0.87 CHRM4 (0.47) CHRM4GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL3401053 0.86 CHRM4 (0.47) CHRM4GAASMN1; SMN2ALDH1A1HPGD
SCHEMBL3405210 0.86 CHRM4 (0.51) CHRM4GAASMN1; SMN2PPARAALDH1A1

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