SCHEMBL3400834

SCHEMBL3400834

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(N(C)C)cc2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
HTR2C P28335 3/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 2/20 0.44
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
HPGD P15428 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL13309741 0.91 RAB9A (0.56) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3405467 0.89 TRPM8 (0.47) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3400893 0.87 TRPM8 (0.46) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3400862 0.87 HTR2C (0.47) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3400845 0.86 PPARA (0.51) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3404121 0.86 PPARA (0.48) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3402779 0.86 ALDH1A1 (0.46) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3401033 0.85 TARBP2 (0.49) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL13309748 0.85 TRPM8 (0.44) TRPM8HTR2CALDH1A1MAPTMEN1
SCHEMBL3399849 0.85 TRPM8 (0.44) TRPM8HTR2CALDH1A1MAPTMEN1

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