SCHEMBL3399794

SCHEMBL3399794

Cc1nc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HRH3 Q9Y5N1 8/20 0.45
SLC6A4 P31645 2/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MTOR P42345 1/20 0.42
HTR2C P28335 3/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3406141 0.91 THRA (0.47) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3399702 0.91 THRA (0.47) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3398363 0.91 THRA (0.52) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3402380 0.89 THRA (0.45) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3398825 0.89 SCN5A (0.54) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3404822 0.88 THRA (0.50) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3405417 0.87 KMT2A (0.57) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3402358 0.87 CNR1 (0.50) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3398941 0.86 CNR1 (0.47) THRATHRBCNR1ALDH1A1HPGD
SCHEMBL3403718 0.86 CNR1 (0.54) THRATHRBCNR1ALDH1A1HPGD

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