SCHEMBL3400943

SCHEMBL3400943

Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCCN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
DPP8 Q6V1X1 1/20 0.56
ALDH1A1 P00352 1/20 0.47
CHRM4 P08173 1/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CACNA1G O43497 3/20 0.46
F10 P00742 1/20 0.45
DRD2 P14416 1/20 0.44
MCHR1 Q99705 1/20 0.44
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
PPARA Q07869 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
SCHEMBL3401355 0.99 DPP4 (0.54) DPP4DPP8ALDH1A1CHRM4CNR1
SCHEMBL3399569 0.93 MAPK1 (0.49) DPP4DPP8ALDH1A1CHRM4KDM4E
SCHEMBL3403541 0.92 DPP4 (0.48) DPP4DPP8ALDH1A1CHRM4KDM4E
SCHEMBL3405826 0.92 DPP4 (0.49) DPP4DPP8ALDH1A1CHRM4CNR1
SCHEMBL3398247 0.91 ALDH1A1 (0.48) DPP4DPP8ALDH1A1CHRM4CNR1
SCHEMBL3402094 0.90 DPP4 (0.50) DPP4DPP8ALDH1A1CHRM4CACNA1G
SCHEMBL3402323 0.89 DPP4 (0.49) DPP4DPP8ALDH1A1CHRM4CACNA1G
SCHEMBL3401416 0.88 NPC1 (0.53) ALDH1A1CHRM4KDM4EMAPTCACNA1G
SCHEMBL3402762 0.87 NPC1 (0.53) ALDH1A1CHRM4MAPTPPARA
SCHEMBL3404779 0.85 MAPK1 (0.49) ALDH1A1CHRM4KDM4EMAPTCACNA1G

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