SCHEMBL3405797

SCHEMBL3405797

Cc1nc(-c2ccc3ccccc3c2)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.52
HTR2C P28335 7/20 0.49
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
OXTR P30559 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL13309613 0.91 HTR2C (0.53) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3400262 0.91 HTR2C (0.53) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3400922 0.90 PKM (0.47) CNR1THRATHRBSMN1; SMN2ALDH1A1
SCHEMBL3400921 0.88 CNR1 (0.66) CNR1HTR2CLMNASMN1; SMN2ALDH1A1
SCHEMBL3404822 0.88 THRA (0.50) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3404795 0.87 CNR1 (0.53) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3403718 0.86 CNR1 (0.54) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3405392 0.86 CNR1 (0.55) CNR1HTR2CLMNASMN1; SMN2ALDH1A1
SCHEMBL3398454 0.86 MAPK1 (0.51) CNR1HTR2CTHRATHRBLMNA
SCHEMBL3399902 0.86 THRA (0.49) CNR1HTR2CTHRATHRBLMNA

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