SCHEMBL5322376

SCHEMBL5322376

COC(=O)Nc1ccc(C)c(C2CCN(CCc3ccc(Sc4ccc(Cl)cc4)cc3)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
ADRA1A P35348 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4617774 0.92 DRD2 (0.54) DRD2ADRA1AMAPTLMNAMAPK1
SCHEMBL5319996 0.91 DRD2 (0.52) DRD2ADRA1AMAPTLMNAMEN1
SCHEMBL5324516 0.89 DRD2 (0.57) DRD2ADRA1A
SCHEMBL5394994 0.89 DRD2 (0.46) DRD2ADRA1AL3MBTL1MAPTLMNA
SCHEMBL5388497 0.88 DRD2 (0.45) DRD2ADRA1AL3MBTL1MAPTLMNA
SCHEMBL5320292 0.84 DRD2 (0.44) DRD2ADRA1AMAPTLMNAMAPK1
SCHEMBL4616000 0.84 DRD2 (0.49) DRD2ADRA1AMAPTMAPK1MEN1
SCHEMBL5321793 0.83 DRD2 (0.56) DRD2ADRA1A
SCHEMBL4617177 0.82 DRD2 (0.54) DRD2ADRA1AMAPTLMNAMAPK1
SCHEMBL5322375 0.81 DRD2 (0.41) DRD2ADRA1AMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO claimed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed