SCHEMBL3400482

SCHEMBL3400482

Cc1nc(-c2ccc(Cl)cc2F)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
MAPK1 P28482 2/20 0.45
CHRM4 P08173 1/20 0.45
MAPT P10636 4/20 0.44
RAD52 P43351 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
STAT1 P42224 1/20 0.44
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR3 P25089 1/20 0.43

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
SCHEMBL3402323 0.94 DPP4 (0.49) DRD2CHRM4ALDH1A1NPSR1GAA
SCHEMBL3402094 0.93 DPP4 (0.50) DRD2CHRM4ALDH1A1GAADPP4
SCHEMBL3403541 0.91 DPP4 (0.48) DRD2MAPK1CHRM4MAPTRAD52
SCHEMBL3404848 0.91 RAB9A (0.45) DRD2MAPTGAAFPR3FPR2
SCHEMBL3402107 0.89 DRD2 (0.47) DRD2MAPK1CHRM4MAPTRAD52
SCHEMBL3399569 0.88 MAPK1 (0.49) DRD2MAPK1CHRM4MAPTRAD52
SCHEMBL3401280 0.88 RAB9A (0.48) MAPTKMT2AGAASMYD2
SCHEMBL3396887 0.86 RAB9A (0.48) MAPTKMT2AGAASMYD2
SCHEMBL3404779 0.86 MAPK1 (0.49) DRD2MAPK1CHRM4MAPTRAD52
SCHEMBL3404517 0.86 F10 (0.47) DRD2GAASMYD2

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