SCHEMBL3401274

SCHEMBL3401274

CCCCN1CCCN(C(=O)c2sc(-c3cc(OC)c(OC)c(OC)c3)nc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 6/20 0.47
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ABCC4 O15439 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CHRM3 P20309 1/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCN1A P35498 1/20 0.45
THPO P40225 1/20 0.45
HTR2B P41595 1/20 0.45
MTOR P42345 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
SCHEMBL3398386 0.88 THRA (0.43) SLC29A1MEN1LMNAKMT2AHRH3
SCHEMBL3404030 0.87 CNR1 (0.44) HRH3CNR1THRATHRB
SCHEMBL3404572 0.86 PDE4A (0.43) SLC29A1LMNAHRH3CNR1THRA
SCHEMBL3405513 0.85 HRH3 (0.49) MEN1KMT2AHRH3CYP3A4CYP2C9
SCHEMBL3405771 0.85 CNR1 (0.43) HRH3CNR1THRATHRB
SCHEMBL3402275 0.85 CNR1 (0.43) MEN1KMT2ASMN1; SMN2HRH3CNR1
SCHEMBL3402322 0.85 CNR1 (0.46) MEN1LMNAKMT2ASMN1; SMN2HRH3
SCHEMBL3402959 0.85 HRH3 (0.46) MEN1KMT2ASMN1; SMN2HRH3MAPK1
SCHEMBL3402652 0.84 HTR2C (0.46) SLC29A1LMNAHTR2ACNR1
SCHEMBL3403442 0.84 HTR2C (0.43) SLC29A1MEN1KMT2ACNR1

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