SCHEMBL3401746

SCHEMBL3401746

Cc1nc(-c2cccc3ccccc23)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 15/20 0.75
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CNR1 P21554 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CES2 O00748 1/20 0.46
KDM4E B2RXH2 1/20 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
SCHEMBL13071647 0.91 HTR2C (0.80) HTR2CLMNACES2
SCHEMBL3403900 0.91 HTR2C (0.80) HTR2CLMNACES2
SCHEMBL13309952 0.90 HTR2C (0.60) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3405829 0.89 HTR2C (0.57) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3400300 0.88 HTR2C (0.56) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3398198 0.87 HTR2C (0.55) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3400254 0.87 HTR2C (0.55) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3399581 0.86 HTR2C (0.56) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3398178 0.86 HTR2C (0.54) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL14545985 0.85 HTR2C (0.54) HTR2CLMNASMN1; SMN2CNR1ALDH1A1

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