SCHEMBL3400809

SCHEMBL3400809

CCN(C)CCN(CC)C(=O)c1sc(-c2ccc(C)c(F)c2)nc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.39
DHODH Q02127 1/20 0.38
CRHR1 P34998 3/20 0.38
RAB9A P51151 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARA Q07869 1/20 0.36
POLB P06746 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL3404502 0.92 CRHR1 (0.40) TRPM8CRHR1RAB9AGAAKDM4E
SCHEMBL3405333 0.90 RAB9A (0.40) TRPM8CRHR1RAB9AGAAKDM4E
SCHEMBL3401041 0.88 TRPM8 (0.53) TRPM8RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3398655 0.87 TRPM8 (0.47) TRPM8RAB9AGAAKDM4EALDH1A1
SCHEMBL3401729 0.85 RAB9A (0.54) TRPM8RAB9AGAAKDM4EALDH1A1
SCHEMBL3402129 0.84 HTR2C (0.43) TRPM8CRHR1RAB9AGAAKDM4E
SCHEMBL3402280 0.84 CDC7 (0.44) TRPM8RAB9AGAAKDM4EALDH1A1
SCHEMBL13071984 0.83 HTR2C (0.40) TRPM8CRHR1RAB9AKDM4EALDH1A1
SCHEMBL3403251 0.83 SMN1; SMN2 (0.46) TRPM8RAB9AGAAALDH1A1NPC1
SCHEMBL13071478 0.83 CDC7 (0.44) TRPM8RAB9AGAAKDM4EALDH1A1

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