SCHEMBL3403541

SCHEMBL3403541

Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DRD2 P14416 4/20 0.47
MAPK1 P28482 2/20 0.46
CHRM4 P08173 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
RAD52 P43351 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
STAT1 P42224 1/20 0.45
GFER P55789 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL3399569 0.97 MAPK1 (0.49) DPP4DPP8DRD2MAPK1CHRM4
SCHEMBL3401355 0.93 DPP4 (0.54) DPP4DPP8DRD2CHRM4MAPT
SCHEMBL3402107 0.93 DRD2 (0.47) DRD2MAPK1CHRM4MAPTKDM4E
SCHEMBL3400943 0.92 DPP4 (0.56) DPP4DPP8DRD2CHRM4MAPT
SCHEMBL3400482 0.91 DRD2 (0.46) DPP4DPP8DRD2MAPK1CHRM4
SCHEMBL3404779 0.90 MAPK1 (0.49) DRD2MAPK1CHRM4MAPTKDM4E
SCHEMBL3403787 0.89 SMYD2 (0.50) DRD2CHRM4MAPTALDH1A1LMNA
SCHEMBL3404517 0.87 F10 (0.47) DRD2GAADRD3
SCHEMBL3398627 0.86 CHRM4 (0.60) DRD2MAPK1CHRM4MAPTKDM4E
SCHEMBL3402982 0.85 SMYD2 (0.53) CHRM4MAPTALDH1A1LMNAKMT2A

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