SCHEMBL8629124

SCHEMBL8629124

Fc1ccc(N2CCN(Cn3ncc4ccccc43)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.48
DRD2 P14416 3/20 0.48
DRD3 P35462 3/20 0.48
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 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
SCHEMBL8633681 0.89 RECQL (0.50) DRD4DRD2DRD3L3MBTL1HTR1A
SCHEMBL8631570 0.87 MAPT (0.47) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL8629425 0.87 DRD4 (0.56) DRD4DRD2DRD3ALDH1A1HTR1A
SCHEMBL8630582 0.84 MAPT (0.54) DRD4DRD2MEN1NPC1RAB9A
SCHEMBL8633899 0.82 KMT2A (0.50) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL8628212 0.80 SMO (0.42) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL8627881 0.80 MAPT (0.50) DRD4DRD2DRD3SLC6A2SLC6A4
SCHEMBL8631540 0.79 KCNH2 (0.51) DRD4DRD2DRD3RAB9AALDH1A1
SCHEMBL8627836 0.78 DRD4 (0.45) DRD4DRD2DRD3MEN1NPC1
SCHEMBL29520874 0.78 RECQL (0.53) NPC1RAB9AL3MBTL1

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
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed