SCHEMBL8631540

SCHEMBL8631540

Cc1cccc(N2CCN(Cn3ncc4ccccc43)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.51
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.45
HTR1A P08908 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
DRD3 P35462 2/20 0.45
DRD2 P14416 2/20 0.45
DHFR P00374 2/20 0.44
C1S P09871 1/20 0.43
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
DRD4 P21917 2/20 0.42
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL17192216 0.87 KCNH2 (0.61) KCNH2HTR7HRH1HTR1AHTR2A
SCHEMBL8631570 0.86 MAPT (0.47) HTR7HTR1ADRD3DRD2ALDH1A1
SCHEMBL8633681 0.86 RECQL (0.50) KCNH2HTR1ADRD3DRD2DRD4
SCHEMBL8630535 0.82 SIGMAR1 (0.53) KCNH2HTR7HTR1AHTR2ADRD3
SCHEMBL8629425 0.79 DRD4 (0.56) HTR1AHTR2CDRD3DRD2ALDH1A1
SCHEMBL8629124 0.79 DRD4 (0.48) HTR1ADRD3DRD2ALDH1A1RAB9A
SCHEMBL8628296 0.79 HTR7 (0.45) HTR7HTR1ADRD3DRD2ADRB1
SCHEMBL8628029 0.78 DRD2 (0.46) KCNH2HTR7HTR1AHTR2AHTR2C
SCHEMBL8630582 0.78 MAPT (0.54) HTR7HTR1ADRD2ALDH1A1MAPT
SCHEMBL8631501 0.78 SLC6A4 (0.44) KCNH2HTR1ADRD3DRD2ALDH1A1

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