SCHEMBL3400517

SCHEMBL3400517

Cc1ccc(-c2nc(C)c(C(=O)NCCCCN3CCCC3)s2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CHRM4 P08173 3/20 0.44
SMYD2 Q9NRG4 3/20 0.43
HTR3A P46098 2/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
DRD2 P14416 2/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
RAD52 P43351 1/20 0.41
GFER P55789 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL3405465 0.93 CHRM4 (0.47) GAACHRM4HTR3AMAPTHPGD
SCHEMBL3401053 0.91 CHRM4 (0.47) GAACHRM4MAPTHPGDDRD2
SCHEMBL3405260 0.90 GAA (0.48) GAACHRM4SMYD2MAPTHPGD
SCHEMBL3402142 0.89 CD274 (0.48) HTR3AMAPTDRD2LMNA
SCHEMBL3403817 0.89 CHRM4 (0.49) GAACHRM4MAPTHPGDDRD2
SCHEMBL3401173 0.89 MAPT (0.50) GAACHRM4SMYD2MAPTHPGD
SCHEMBL3402105 0.88 CHRM4 (0.47) GAACHRM4SMYD2MAPTHPGD
SCHEMBL3400096 0.86 CHRM4 (0.49) GAACHRM4MAPTHPGDNPC1
SCHEMBL3402417 0.86 CHRM4 (0.49) GAACHRM4MAPTHPGDDRD2
SCHEMBL3403357 0.86 DRD3 (0.49) GAACHRM4SMYD2HPGDNPC1

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