SCHEMBL3401181

SCHEMBL3401181

Cc1cccnc1-c1nc(C)c(C(=O)N2CCN(C(C)C)CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CES2 O00748 1/20 0.46
HTR2C P28335 7/20 0.46
PARP1 P09874 1/20 0.41
SIGLEC9 Q9Y336 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OXTR P30559 1/20 0.39
KMT2A Q03164 1/20 0.39
SMO Q99835 2/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL3405573 0.84 HTR2C (0.52) CNR1CES2HTR2CPARP1SIGLEC9
SCHEMBL13309912 0.83 HTR2C (0.59) CNR1CES2HTR2CPARP1SIGLEC9
SCHEMBL13071982 0.82 HTR2C (0.56) CNR1CES2HTR2CPARP1SIGLEC9
SCHEMBL3400778 0.81 HTR2C (0.57) CNR1CES2HTR2CPARP1SIGLEC9
SCHEMBL3401781 0.81 CNR1 (0.70) CNR1HTR2CPARP1ALDH1A1HPGD
SCHEMBL3401932 0.80 KDM4E (0.55) CNR1CES2HTR2CKDM4EALDH1A1
SCHEMBL3405399 0.78 CNR1 (0.57) CNR1HTR2CPARP1KDM4EALDH1A1
SCHEMBL3405384 0.78 HTR2C (0.62) CNR1CES2HTR2CPARP1HRH3
SCHEMBL3400118 0.78 HTR2C (0.50) CNR1CES2HTR2CPARP1SIGLEC9
SCHEMBL3405916 0.78 CNR1 (0.51) CNR1HTR2CPARP1KDM4EKMT2A

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 3 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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed