SCHEMBL6232410

SCHEMBL6232410

Nc1ccc2sc(CN3CCC(c4ccccc4)CC3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
DRD2 P14416 6/20 0.44
DRD4 P21917 5/20 0.44
S1PR5 Q9H228 1/20 0.42
OGA O60502 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC18A3 Q16572 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 2/20 0.41
DRD3 P35462 3/20 0.41
GRM2 Q14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6607240 0.80 DRD2 (0.48) MCHR1DRD2DRD4S1PR5ALDH1A1
SCHEMBL6251149 0.80 DRD4 (0.50) MCHR1KMT2ADRD2DRD4HTT
SCHEMBL6231994 0.79 ALDH1A1 (0.47) MCHR1DRD2DRD4HTTKDM4E
SCHEMBL6235676 0.78 CA2 (0.50) MCHR1HTTSMN1; SMN2KDM4E
SCHEMBL6231136 0.77 LMNA (0.50) MCHR1DRD2DRD4S1PR5KDM4E
SCHEMBL6231990 0.74 HRH4 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL5764654 0.73 MCHR1 (0.49) MCHR1MEN1KMT2ADRD2DRD4
SCHEMBL3153917 0.73 MEN1 (0.74) MEN1KMT2ADRD2DRD4SLC18A3
SCHEMBL16113630 0.72 OGA (0.58) MEN1KMT2ADRD2DRD4OGA
Hydrochloric Acid SCHEMBL16113438 0.71 OGA (0.57) MEN1KMT2ADRD2DRD4OGA

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-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 WO disclosed