SCHEMBL3397030

SCHEMBL3397030

Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 2/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 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
SCHEMBL3401632 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3405168 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3405780 0.91 HTR2C (0.50) HTR2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL3399767 0.91 HTR2C (0.50) HTR2CALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL3398198 0.88 HTR2C (0.55) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3402441 0.87 NPC1 (0.47) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3398825 0.85 SCN5A (0.54) ALDH1A1HPGDKDM4EMAPTCNR1
SCHEMBL3405417 0.84 KMT2A (0.57) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3400835 0.84 HTR2C (0.53) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3398941 0.83 CNR1 (0.47) HTR2CALDH1A1HPGDKDM4EL3MBTL1

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