SCHEMBL8797245

SCHEMBL8797245

c1cnc(N2CCN(Cc3n[nH]c4ccccc34)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
TSHR P16473 2/20 0.62
LMNA P02545 1/20 0.62
HTT P42858 1/20 0.62
DRD4 P21917 5/20 0.55
DRD2 P14416 4/20 0.52
DRD3 P35462 2/20 0.52
HTR1A P08908 2/20 0.52
HTR2A P28223 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTR3A P46098 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL8797465 0.86 KMT2A (0.61) LMNADRD4DRD2DRD3HTR1A
SCHEMBL8627719 0.83 DRD4 (0.58) LMNAHTTDRD4DRD2DRD3
SCHEMBL6977832 0.81 KDM4E (0.53) LMNAHTTALDH1A1KMT2AKDM4E
SCHEMBL8629239 0.81 HRH4 (0.54) POLBTSHRLMNAHTTDRD4
SCHEMBL1514899 0.80 SIGMAR1 (0.49) LMNAHTR2AALDH1A1KDM4E
SCHEMBL20012646 0.80 KMT2A (0.45) DRD4DRD2ALDH1A1MEN1KMT2A
SCHEMBL8630974 0.80 ACHE (0.57) POLBLMNAHTTDRD4DRD2
SCHEMBL18080912 0.80 HTR6 (0.56) LMNAKDM4E
SCHEMBL8798091 0.78 DRD4 (0.62) POLBTSHRLMNADRD4DRD2
SCHEMBL8797857 0.78 LMNA (0.62) POLBLMNAHTTDRD4DRD2

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 6 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
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