SCHEMBL3404063

SCHEMBL3404063

CCCCN1CCCN(C(=O)c2sc(-c3cccc(F)c3)nc2C)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 12/20 0.50
CNR1 P21554 1/20 0.47
HTR2C P28335 2/20 0.45
MAPT P10636 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PDE4B Q07343 1/20 0.42
CES2 O00748 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL3405569 0.91 CNR1 (0.48) CNR1HTR2CMAPTTHRATHRB
SCHEMBL3405771 0.91 CNR1 (0.43) TRPM8CNR1HTR2CTHRATHRB
SCHEMBL3402239 0.89 CNR1 (0.49) CNR1HTR2CTHRATHRBCES2
SCHEMBL3405405 0.89 KMT2A (0.53) TRPM8CNR1HTR2CMAPTTHRA
SCHEMBL3405660 0.89 THRA (0.45) TRPM8CNR1HTR2CMAPTTHRA
SCHEMBL3402581 0.89 CNR1 (0.47) TRPM8CNR1HTR2CMAPTTHRA
SCHEMBL3401176 0.89 CNR1 (0.60) CNR1HTR2CMAPTCES2HRH3
SCHEMBL3403910 0.89 ALDH1A1 (0.55) CNR1HTR2CMAPTTHRATHRB
SCHEMBL3405411 0.88 CNR1 (0.46) CNR1HTR2CMAPTTHRATHRB
SCHEMBL3402322 0.88 CNR1 (0.46) CNR1HTR2CMAPTTHRATHRB

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
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed