SCHEMBL3401632

SCHEMBL3401632

Cc1cc(Cl)ccc1-c1nc(C)c(C(=O)N2CCN(C3CCCC3)CC2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 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
SCHEMBL3397030 0.92 HTR2C (0.46) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3402555 0.91 HTR2C (0.50) HTR2CALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL3400371 0.91 HTR2C (0.50) HTR2CALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL3405168 0.90 HTR2C (0.46) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3400495 0.88 HTR2C (0.46) HTR2CALDH1A1HPGDKMT2AMEN1
SCHEMBL3401305 0.87 KMT2A (0.48) HTR2CALDH1A1HPGDKMT2AMEN1
SCHEMBL3402441 0.87 NPC1 (0.47) HTR2CALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL3399351 0.86 HTR2C (0.49) HTR2CALDH1A1HPGDL3MBTL1KMT2A
SCHEMBL3401271 0.86 PKM (0.49) HTR2CALDH1A1HPGDKMT2ALMNA
SCHEMBL3405829 0.85 HTR2C (0.57) 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