SCHEMBL8629239

SCHEMBL8629239

c1ccc2c(N3CCN(Cc4n[nH]c5ccccc45)CC3)nccc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.54
HTR2C P28335 1/20 0.54
SORD Q00796 2/20 0.49
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD4 P21917 1/20 0.42
GRM4 Q14833 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.41
HCAR2 Q8TDS4 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
SCHEMBL8635560 0.83 HRH4 (0.49) HRH4HTR2CSORDHTR1AHTR1D
SCHEMBL8797245 0.81 POLB (0.62) HTR1ADRD4POLBLMNATSHR
SCHEMBL30041280 0.80 HRH4 (0.57) HRH4HTR2CSORDHTR1AHTR1D
SCHEMBL23964309 0.80 HRH4 (0.57) HRH4HTR2CSORDHTR1AHTR1D
SCHEMBL6232120 0.79 HRH4 (0.62) HRH4HTR2CSORDHTR1ADRD4
SCHEMBL8797465 0.79 KMT2A (0.61) HTR1ADRD4LMNAALDH1A1MAPT
SCHEMBL8627719 0.78 DRD4 (0.58) HTR1ADRD4LMNAHTTALDH1A1
SCHEMBL8797340 0.77 HTR3A (0.51) HTR1ADRD4POLBLMNATSHR
SCHEMBL3683535 0.76 HRH4 (0.70) HRH4HTR2CSORDLMNATSHR
SCHEMBL8134359 0.76 MEN1 (0.58) HRH4HTR2CSORDHTR1AHTR1D

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