SCHEMBL8635560

SCHEMBL8635560

Clc1cccc2c(CN3CCN(c4nccc5ccccc45)CC3)n[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
HTR2C P28335 1/20 0.49
SORD Q00796 2/20 0.45
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 2/20 0.43
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
SLC6A4 P31645 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB1 P08183 1/20 0.40

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
SCHEMBL8629239 0.83 HRH4 (0.54) HRH4HTR2CSORDDRD4ALDH1A1
SCHEMBL8651329 0.80 HTR3A (0.46) DRD2DRD3DRD4KCNH2MAPT
SCHEMBL6232120 0.77 HRH4 (0.62) HRH4HTR2CSORDDRD4ALDH1A1
SCHEMBL8628752 0.77 KDM4E (0.54) HTR2CDRD2DRD3DRD4ADRA1A
SCHEMBL8134359 0.77 MEN1 (0.58) HRH4HTR2CSORDDRD4ALDH1A1
SCHEMBL8630558 0.76 ALDH1A1 (0.43) HTR2CDRD2DRD3DRD4ALDH1A1
SCHEMBL8130723 0.75 SIGMAR1 (0.58) HRH4HTR2CSORDDRD4ALDH1A1
SCHEMBL8629820 0.75 KDM4E (0.45) HTR2CDRD2DRD3DRD4ADRA1A
SCHEMBL3684916 0.73 KDM4E (0.59) HRH4HTR2CSORDALDH1A1MAPT
SCHEMBL8486348 0.73 HRH4 (0.60) HRH4HTR2CSORDALDH1A1MAPT

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