SCHEMBL3405405

SCHEMBL3405405

CCCCN1CCCN(C(=O)c2sc(-c3cccc(Cl)c3)nc2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
HRH3 Q9Y5N1 3/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
HTR2C P28335 2/20 0.45
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
AVPR1B P47901 2/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL3405569 0.91 CNR1 (0.48) KMT2AHRH3ALDH1A1MEN1MAPT
SCHEMBL3402275 0.91 CNR1 (0.43) KMT2AHRH3ALDH1A1KDM4EMEN1
SCHEMBL3404063 0.89 TRPM8 (0.50) HRH3MAPTCNR1TRPM8HTR2C
SCHEMBL3402239 0.89 CNR1 (0.49) KMT2AHRH3CNR1HTR2CTHRA
SCHEMBL3401483 0.89 RAB9A (0.49) KMT2AHRH3ALDH1A1KDM4EMEN1
SCHEMBL3401176 0.89 CNR1 (0.60) HRH3ALDH1A1MAPTL3MBTL1CNR1
SCHEMBL3405411 0.88 CNR1 (0.46) KMT2AHRH3ALDH1A1KDM4EMEN1
SCHEMBL3402322 0.88 CNR1 (0.46) KMT2AHRH3ALDH1A1KDM4EMEN1
SCHEMBL3405885 0.88 THRA (0.45) KMT2AHRH3ALDH1A1KDM4EMEN1
SCHEMBL3405461 0.88 CNR1 (0.46) KMT2AHRH3ALDH1A1MAPTL3MBTL1

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