SCHEMBL8630130

SCHEMBL8630130

COc1ccc(N2CCN(Cc3n[nH]c4c(F)c(F)ccc34)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
DRD4 P21917 3/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.47
SMO Q99835 2/20 0.46
DRD3 P35462 2/20 0.45
DRD2 P14416 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.43
PARP1 P09874 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL8628174 0.87 HSD17B10 (0.52) MAPTDRD4LMNAL3MBTL1HSD17B10
SCHEMBL8634465 0.86 MAPT (0.51) MAPTDRD4LMNAL3MBTL1GAA
SCHEMBL8304196 0.81 MEN1 (0.49) MAPTGAADRD2ALDH1A1KDM4E
SCHEMBL8628742 0.80 DRD4 (0.53) MAPTDRD4LMNAL3MBTL1HSD17B10
SCHEMBL8629937 0.80 MAPT (0.53) MAPTDRD4LMNAL3MBTL1HSD17B10
SCHEMBL8630660 0.80 TSHR (0.52) MAPTDRD4LMNAL3MBTL1HSD17B10
SCHEMBL8631690 0.78 GAA (0.51) MAPTDRD4LMNAL3MBTL1HSD17B10
SCHEMBL8797247 0.77 DRD4 (0.60) MAPTDRD4LMNAHSD17B10GAA
SCHEMBL8629115 0.74 HTR7 (0.43) MAPTDRD4LMNAL3MBTL1HSD17B10
SCHEMBL8299447 0.70 MEN1 (0.51) MAPTGAADRD2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689539-B1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP claimed
WO-1994021630-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO claimed
US-5780475-A Antipsychotic indazole derivatives MERCK, SHARP & DOHME LIMITED (GB) 1998-07-14 US disclosed
EP-0689539-B1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP disclosed
WO-1994021630-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed