SCHEMBL8629115

SCHEMBL8629115

Cc1ccc(N2CCN(Cc3n[nH]c4c(F)cccc34)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
KMT2A Q03164 3/20 0.41
MAPT P10636 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EED O75530 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD4 P21917 1/20 0.40
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMO Q99835 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 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
SCHEMBL8628174 0.87 HSD17B10 (0.52) KMT2AMAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL8629820 0.86 KDM4E (0.45) HTR7KMT2AMAPTNPSR1L3MBTL1
SCHEMBL8797972 0.80 HTR7 (0.49) HTR7MAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL8628752 0.76 KDM4E (0.54) HTR7KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL8634465 0.75 MAPT (0.51) HTR7KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL8630660 0.74 TSHR (0.52) KMT2AMAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL8628742 0.74 DRD4 (0.53) KMT2AMAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL8630130 0.74 MAPT (0.47) KMT2AMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL8797772 0.73 L3MBTL1 (0.62) HTR7MAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL13122355 0.70 AR (0.43) PARP1LMNA

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