SCHEMBL8928121

SCHEMBL8928121

N#Cc1ccc(CN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DRD4 P21917 4/20 0.47
HTR1A P08908 3/20 0.47
HTR2A P28223 3/20 0.47
DRD2 P14416 5/20 0.47
DRD1 P21728 4/20 0.47
ADRA1A P35348 3/20 0.47
CYP3A4 P08684 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ADRB2 P07550 2/20 0.47
CHRM2 P08172 2/20 0.47

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
SCHEMBL8928035 0.90 HRH4 (0.62) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL8928041 0.88 HRH4 (0.53) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL8928003 0.82 HRH4 (0.56) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL8928029 0.81 DRD4 (0.61) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL7249840 0.80 HRH4 (0.72) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL8928151 0.76 DRD4 (0.76) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL9093448 0.76 DRD2 (0.44) ALDH1A1MAPTHRH3DRD4HTR1A
SCHEMBL7408056 0.75 HRH4 (0.69) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL4194509 0.75 HRH4 (0.69) HRH4MEN1KMT2ALMNAALDH1A1
SCHEMBL8928031 0.74 HRH4 (0.61) HRH4MEN1KMT2ALMNAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5602120-A ADMINISTERING FOR TREATING A CONDITION MEDIATED BY THE D4 RECEPTOR: SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US claimed
US-5602120-A ADMINISTERING FOR TREATING A CONDITION MEDIATED BY THE D4 RECEPTOR: SCHIZOPHRENIA ALLELIX BIOPHARMACEUTICALS, INC. (CA) 1997-02-11 US disclosed
WO-1996018623-A1 BENZYL-SUBSTITUTED COMPOUNDS HAVING DOPAMINE RECEPTOR AFFINITY ALLELIX BIOPHARMACEUTICALS INC. (US) 1996-06-20 WO disclosed