SCHEMBL3405048

SCHEMBL3405048

CCCc1ccc(-c2nc(C)c(C(=O)N3CCN(C4CCCC4)CC3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
OXTR P30559 1/20 0.43
HTR2C P28335 5/20 0.43
SCN5A Q14524 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL3401493 0.94 CNR1 (0.47) CNR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL3404803 0.92 CNR1 (0.49) CNR1HRH3THRATHRBLMNA
SCHEMBL3403938 0.92 CNR1 (0.51) CNR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL13071723 0.91 HRH3 (0.49) CNR1HRH3THRATHRBLMNA
SCHEMBL3399901 0.91 HRH3 (0.49) CNR1HRH3THRATHRBLMNA
SCHEMBL3403718 0.88 CNR1 (0.54) CNR1ALDH1A1HPGDHRH3THRA
SCHEMBL3398825 0.86 SCN5A (0.54) CNR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL3400395 0.86 CNR1 (0.52) CNR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL3403473 0.86 HRH3 (0.58) CNR1ALDH1A1HPGDHRH3KMT2A
SCHEMBL3400921 0.86 CNR1 (0.66) CNR1ALDH1A1HPGDHRH3KMT2A

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 3 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