SCHEMBL3401355

SCHEMBL3401355

Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
DPP8 Q6V1X1 1/20 0.54
ALDH1A1 P00352 1/20 0.48
CHRM4 P08173 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
MCHR1 Q99705 1/20 0.45
DRD2 P14416 1/20 0.45
CACNA1G O43497 2/20 0.44
GAA P10253 1/20 0.44
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
PDE2A O00408 1/20 0.43
PDE10A Q9Y233 1/20 0.43
F10 P00742 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3400943 0.99 DPP4 (0.56) DPP4DPP8ALDH1A1CHRM4KDM4E
SCHEMBL3399569 0.94 MAPK1 (0.49) DPP4DPP8ALDH1A1CHRM4KDM4E
SCHEMBL3403541 0.93 DPP4 (0.48) DPP4DPP8ALDH1A1CHRM4KDM4E
SCHEMBL3398247 0.92 ALDH1A1 (0.48) DPP4DPP8ALDH1A1CHRM4CNR1
SCHEMBL3405826 0.91 DPP4 (0.49) DPP4DPP8ALDH1A1CHRM4CNR1
SCHEMBL3402323 0.90 DPP4 (0.49) DPP4DPP8ALDH1A1CHRM4MCHR1
SCHEMBL3402094 0.89 DPP4 (0.50) DPP4DPP8ALDH1A1CHRM4MCHR1
SCHEMBL3402762 0.88 NPC1 (0.53) ALDH1A1CHRM4MAPTPPARAPPARD
SCHEMBL3401416 0.87 NPC1 (0.53) ALDH1A1CHRM4KDM4EMAPTCACNA1G
SCHEMBL3404779 0.86 MAPK1 (0.49) ALDH1A1CHRM4KDM4EMAPTDRD2

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