SCHEMBL14545985

SCHEMBL14545985

Cc1nc(-c2c(O)ccc3ccccc23)sc1C(=O)N1CCN(C2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.54
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ACACB O00763 3/20 0.42
ACACA Q13085 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.41
CES2 O00748 1/20 0.41

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
SCHEMBL3405140 0.88 HTR2C (0.52) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3401746 0.85 HTR2C (0.75) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3405777 0.83 HTR2C (0.50) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3400921 0.81 CNR1 (0.66) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL13309952 0.81 HTR2C (0.60) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3405797 0.81 CNR1 (0.52) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3404938 0.81 HTR2C (0.48) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3405829 0.80 HTR2C (0.57) HTR2CLMNASMN1; SMN2CNR1ALDH1A1
SCHEMBL3403306 0.80 HTR2C (0.56) HTR2CLMNACNR1ACACBACACA
SCHEMBL3406034 0.80 HTR2C (0.56) HTR2CLMNACNR1ACACBACACA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed