SCHEMBL3400804

SCHEMBL3400804

CCCCN1CCCN(C(=O)c2sc(-c3ccccc3Cl)nc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.53
CES2 O00748 1/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.44
LMNA P02545 1/20 0.43
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 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
SCHEMBL3405560 0.93 HTR2C (0.52) HTR2CCES2POLBALDH1A1MAPT
SCHEMBL13071667 0.90 HTR2C (0.55) HTR2CCES2POLBALDH1A1MAPT
SCHEMBL3402545 0.90 HTR2C (0.54) HTR2CCES2POLBALDH1A1MAPT
SCHEMBL3403538 0.90 HTR2C (0.54) HTR2CCES2POLBNPC1ALDH1A1
SCHEMBL3399933 0.89 KDM4E (0.46) HTR2CCES2NPC1ALDH1A1MAPT
SCHEMBL3402587 0.89 HTR2C (0.45) HTR2CCES2POLBNPC1ALDH1A1
SCHEMBL3402206 0.88 HTR2C (0.71) HTR2CCES2POLB
SCHEMBL3404227 0.87 HTR2C (0.52) HTR2CCES2POLBNPC1RAB9A
SCHEMBL3398372 0.87 HTR2C (0.52) HTR2CCES2POLBNPC1ALDH1A1
SCHEMBL3400126 0.87 HTR2C (0.53) HTR2CCES2POLBALDH1A1MAPT

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