SCHEMBL3402406

SCHEMBL3402406

CCN(C)CCN(CC)C(=O)c1sc(-c2cc(C)ccc2F)nc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
CRHR1 P34998 5/20 0.40
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
CTSA P10619 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32

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
SCHEMBL13071483 0.94 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4EGAA
SCHEMBL3402218 0.89 HTR2C (0.41) HTR2CCRHR1RAB9AKDM4EGAA
SCHEMBL3406004 0.88 HTR2C (0.49) HTR2CRAB9AMAPTNPC1ALDH1A1
SCHEMBL3404502 0.83 CRHR1 (0.40) CRHR1RAB9AKDM4EGAAMAPT
SCHEMBL13071984 0.83 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4EMAPT
SCHEMBL3400468 0.83 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4EMAPT
SCHEMBL3401729 0.82 RAB9A (0.54) RAB9AKDM4EGAAMAPTNPC1
SCHEMBL3404998 0.82 HTR2C (0.47) HTR2CRAB9AKDM4EGAAMAPT
SCHEMBL13310314 0.81 HTR2C (0.41) HTR2CCRHR1RAB9AKDM4EMAPT
SCHEMBL3400809 0.81 TRPM8 (0.39) CRHR1RAB9AKDM4EGAAMAPT

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