SCHEMBL3399741

SCHEMBL3399741

CCN(CC)CCN(C)C(=O)c1sc(-c2cccc(C)c2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.50
HTR2C P28335 4/20 0.49
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 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
SCHEMBL3403618 0.89 TRPM8 (0.48) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3400862 0.89 HTR2C (0.47) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404304 0.89 KMT2A (0.61) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3405714 0.89 HTR2C (0.45) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3398358 0.88 KMT2A (0.48) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404127 0.88 HTR2C (0.49) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3402390 0.87 HTR2C (0.46) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3404513 0.87 HTR2C (0.46) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3397100 0.86 HTR2C (0.46) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1
SCHEMBL3405267 0.86 ALDH1A1 (0.63) TRPM8HTR2CKMT2ASMN1; SMN2ALDH1A1

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