SCHEMBL3399781

SCHEMBL3399781

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(Cl)cc2F)nc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.46
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CRHR1 P34998 1/20 0.36

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
SCHEMBL3402113 0.90 HTR2C (0.47) HTR2CMAPTKMT2AALDH1A1MEN1
SCHEMBL13071981 0.90 MAPT (0.52) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3400343 0.90 HTR2C (0.47) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3404998 0.88 HTR2C (0.47) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3405318 0.88 HTR2C (0.47) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3396808 0.84 KMT2A (0.45) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3401198 0.83 HTR2C (0.47) HTR2CKMT2AALDH1A1MEN1
SCHEMBL3404554 0.83 HTR2C (0.44) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3401433 0.82 HTR2C (0.41) HTR2CMAPTKDM4EKMT2AALDH1A1
SCHEMBL3404304 0.81 KMT2A (0.61) HTR2CMAPTKDM4EKMT2AALDH1A1

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