SCHEMBL3403473

SCHEMBL3403473

CCCOc1ccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
CNR1 P21554 1/20 0.46
KMT2A Q03164 3/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TARBP2 Q15633 1/20 0.44
HPGD P15428 1/20 0.43
FFAR1 O14842 1/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL13309826 0.92 HRH3 (0.57) HRH3CNR1PPARDPPARAALDH1A1
SCHEMBL3405508 0.88 HRH3 (0.55) HRH3CNR1KMT2APPARDPPARA
SCHEMBL3404388 0.87 HRH3 (0.54) HRH3CNR1KMT2APPARDPPARA
SCHEMBL3405048 0.86 CNR1 (0.49) HRH3CNR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3403938 0.86 CNR1 (0.51) HRH3CNR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3403718 0.85 CNR1 (0.54) HRH3CNR1ALDH1A1SMN1; SMN2GAA
SCHEMBL3405392 0.85 CNR1 (0.55) HRH3CNR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL3401493 0.85 CNR1 (0.47) HRH3CNR1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3402224 0.84 HRH3 (0.48) HRH3CNR1KMT2APPARDPPARA
SCHEMBL3403457 0.84 HRH3 (0.54) HRH3CNR1KMT2ATARBP2HPGD

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