SCHEMBL3404359

SCHEMBL3404359

Cc1cc(C)c(-c2nc(C)c(C(=O)NCCCN3CCCCC3C)s2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
THRB P10828 1/20 0.48
MAPT P10636 2/20 0.47
CACNA1G O43497 5/20 0.46
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
HSD17B10 Q99714 2/20 0.45
SLC2A1 P11166 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL3399710 0.91 THRB (0.54) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3399980 0.85 RAB9A (0.49) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3400236 0.84 CYP1A2 (0.54) RAB9ANPC1THRBMAPTLMNA
SCHEMBL3405042 0.84 CHRM4 (0.49) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3399951 0.84 RAB9A (0.50) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3399723 0.84 HSD17B10 (0.51) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3401074 0.84 THRB (0.47) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3402383 0.84 HSD17B10 (0.51) RAB9ANPC1THRBMAPTCACNA1G
SCHEMBL3404891 0.83 CACNA1G (0.54) RAB9ANPC1THRBCACNA1GSLC2A1
SCHEMBL3400068 0.83 CYP1A2 (0.58) RAB9ANPC1THRBMAPTCACNA1G

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