SCHEMBL3402702

SCHEMBL3402702

Cc1nc(-c2cccc(C(C)C)c2)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
HTR2C P28335 7/20 0.45
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
RAB9A P51151 1/20 0.42
OXTR P30559 1/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39

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
SCHEMBL3405789 0.91 HRH3 (0.51) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3401167 0.91 HRH3 (0.51) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3404795 0.88 CNR1 (0.53) CNR1HTR2CTHRATHRBALDH1A1
SCHEMBL3402358 0.88 CNR1 (0.50) CNR1HTR2CTHRATHRBALDH1A1
SCHEMBL3400211 0.87 CNR1 (0.48) CNR1HTR2CTHRATHRBALDH1A1
SCHEMBL3398926 0.86 TRPM8 (0.54) CNR1HTR2CTHRATHRBALDH1A1
SCHEMBL3405417 0.86 KMT2A (0.57) CNR1HTR2CTHRATHRBALDH1A1
SCHEMBL3400921 0.86 CNR1 (0.66) CNR1HTR2CALDH1A1HPGDLMNA
SCHEMBL3398454 0.85 MAPK1 (0.51) CNR1HTR2CTHRATHRBALDH1A1
SCHEMBL3401828 0.85 HRH3 (0.52) CNR1HTR2CTHRATHRBALDH1A1

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