SCHEMBL3401440

SCHEMBL3401440

CCCCN1CCCN(C(=O)c2sc(-c3ccc(Cl)cc3C)nc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CES2 O00748 1/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
POLB P06746 1/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3399933 0.93 KDM4E (0.46) HTR2CALDH1A1KDM4EMEN1HSP90AA1
SCHEMBL3402512 0.91 HTR2C (0.43) HTR2CALDH1A1KDM4EMEN1HSP90AA1
SCHEMBL3402587 0.91 HTR2C (0.45) HTR2CALDH1A1KDM4EMEN1HSP90AA1
SCHEMBL3401007 0.89 HTR2C (0.45) HTR2CALDH1A1CES2NPC1POLB
SCHEMBL3404766 0.88 HTR2C (0.42) HTR2CALDH1A1KDM4EMEN1HSP90AA1
SCHEMBL3401483 0.87 RAB9A (0.49) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13071667 0.87 HTR2C (0.55) HTR2CALDH1A1MAPTCES2POLB
SCHEMBL3405405 0.85 KMT2A (0.53) HTR2CALDH1A1KDM4EMEN1HSP90AA1
SCHEMBL3400804 0.85 HTR2C (0.53) HTR2CALDH1A1MAPTCES2NPC1
SCHEMBL3400099 0.85 HTR2C (0.46) HTR2CALDH1A1KDM4EL3MBTL1CES2

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