SCHEMBL3399685

SCHEMBL3399685

Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
HTR2C P28335 5/20 0.46
HRH3 Q9Y5N1 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
HSD17B10 Q99714 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL3405399 0.91 CNR1 (0.57) CNR1HTR2CHRH3L3MBTL1RAB9A
SCHEMBL3405550 0.88 CNR1 (0.55) CNR1HTR2CHRH3RAB9AKDM4E
SCHEMBL3406010 0.88 CNR1 (0.49) CNR1HTR2CHRH3RAB9AKDM4E
SCHEMBL3401781 0.88 CNR1 (0.70) CNR1HTR2CHRH3L3MBTL1RAB9A
SCHEMBL3398373 0.88 CNR1 (0.49) CNR1HTR2CRAB9AKDM4EGAA
SCHEMBL3403012 0.88 ALDH1A1 (0.56) CNR1HTR2CKDM4EGAASMN1; SMN2
SCHEMBL3400052 0.87 CNR1 (0.54) CNR1HTR2CHRH3RAB9AKDM4E
SCHEMBL3405357 0.87 CNR1 (0.54) CNR1HTR2CHRH3L3MBTL1RAB9A
SCHEMBL3398840 0.87 CNR1 (0.54) CNR1HTR2CHRH3RAB9AKDM4E
SCHEMBL3404377 0.87 TRPM8 (0.57) CNR1HTR2CTRPM8SMN1; 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