SCHEMBL8629937

SCHEMBL8629937

COc1ccc(N2CCN(Cc3n[nH]c4cc(F)ccc34)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
SMO Q99835 2/20 0.51
MAP2K4 P45985 1/20 0.50
DRD4 P21917 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 4/20 0.47
TRPV4 Q9HBA0 1/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
DRD3 P35462 2/20 0.45
DRD2 P14416 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL8631690 0.87 GAA (0.51) MAPTL3MBTL1LMNADRD4KDM4E
SCHEMBL8797485 0.85 MAPT (0.56) MAPTL3MBTL1DRD4KDM4EALDH1A1
SCHEMBL8797247 0.84 DRD4 (0.60) MAPTLMNASMODRD4KDM4E
SCHEMBL8630130 0.80 MAPT (0.47) MAPTL3MBTL1LMNASMODRD4
SCHEMBL8628174 0.78 HSD17B10 (0.52) MAPTL3MBTL1LMNASMODRD4
SCHEMBL8797772 0.77 L3MBTL1 (0.62) MAPTL3MBTL1LMNADRD4KDM4E
SCHEMBL8630660 0.76 TSHR (0.52) MAPTL3MBTL1LMNASMODRD4
SCHEMBL8633263 0.75 SMO (0.48) MAPTL3MBTL1LMNASMOKDM4E
SCHEMBL28313258 0.74 MAPT (0.68) MAPTL3MBTL1LMNASMOKDM4E
SCHEMBL8628742 0.73 DRD4 (0.53) MAPTL3MBTL1LMNASMODRD4

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 7 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
EP-0689539-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-01-03 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
EP-0689539-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-01-03 EP disclosed
WO-1994021630-A1 ANTIPSYCHOTIC INDAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-09-29 WO disclosed