SCHEMBL3402218

SCHEMBL3402218

CCN(C)CCN(CC)C(=O)c1sc(-c2cc(C)ccc2C)nc1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.41
CRHR1 P34998 5/20 0.39
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL3402406 0.89 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4EGAA
SCHEMBL13071984 0.89 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4ESMN1; SMN2
SCHEMBL13310314 0.88 HTR2C (0.41) HTR2CCRHR1RAB9AKDM4ESMN1; SMN2
SCHEMBL13071483 0.87 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4EGAA
SCHEMBL3401729 0.84 RAB9A (0.54) RAB9AKDM4EGAASMN1; SMN2NPC1
SCHEMBL3402104 0.84 HTR2C (0.53) HTR2CRAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL3405333 0.83 RAB9A (0.40) HTR2CCRHR1RAB9AKDM4EGAA
SCHEMBL3404329 0.83 CRHR1 (0.44) HTR2CCRHR1RAB9AKDM4EGAA
SCHEMBL3400468 0.83 HTR2C (0.40) HTR2CCRHR1RAB9AKDM4ESMN1; SMN2
SCHEMBL3402572 0.83 HTR2C (0.48) HTR2CCRHR1RAB9AKDM4ESMN1; SMN2

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