SCHEMBL3403609

SCHEMBL3403609

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(C)c3ccccc23)nc1C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.62
TRPM8 Q7Z2W7 1/20 0.41
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL3405420 0.89 HTR2C (0.78) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3404364 0.89 HTR2C (0.51) HTR2CNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3399658 0.84 HTR2C (0.58) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3401263 0.83 HTR2C (0.57) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3402386 0.83 HTR2C (0.49) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3398602 0.83 HTR2C (0.57) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL13072009 0.82 HTR2C (0.52) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3400942 0.82 HTR2C (0.49) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3402422 0.82 HTR2C (0.55) HTR2CTRPM8NPC1SMN1; SMN2ALDH1A1
SCHEMBL3402104 0.82 HTR2C (0.53) HTR2CNPC1SMN1; SMN2ALDH1A1MAPT

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