SCHEMBL3400265

SCHEMBL3400265

CCN1CCN(C(=O)c2sc(-c3cc(C)ccc3OC)nc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 5/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CES2 O00748 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CNR1 P21554 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL3402191 0.90 TP53 (0.45) HTR2CALDH1A1KMT2AHPGDMEN1
SCHEMBL3403006 0.87 HTR2C (0.49) HTR2CALDH1A1KMT2AHPGDMEN1
SCHEMBL3403442 0.87 HTR2C (0.43) HTR2CALDH1A1KMT2AMEN1KDM4E
SCHEMBL3402439 0.86 HTR2C (0.46) HTR2CALDH1A1KDM4ECES2NPC1
SCHEMBL3405089 0.84 HTR2C (0.46) HTR2CALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3405361 0.83 RAB9A (0.53) HTR2CALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL3405416 0.81 HTR2C (0.48) HTR2CKMT2AMEN1CES2L3MBTL1
SCHEMBL3399875 0.81 HTR2C (0.48) HTR2CKMT2AMEN1CES2L3MBTL1
SCHEMBL3404365 0.80 HTR2C (0.42) HTR2CKMT2AMEN1CES2L3MBTL1
SCHEMBL13310335 0.80 HTR2C (0.43) HTR2CALDH1A1KMT2AHPGDMEN1

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