SCHEMBL9866508

SCHEMBL9866508

CN(C)CCCOc1ccc2c(c1)CCC1CC(=O)N(c3ccccn3)N=C21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
DRD4 P21917 2/20 0.43
HTR7 P34969 2/20 0.43
DRD3 P35462 2/20 0.43
HRH3 Q9Y5N1 3/20 0.42
GPR84 Q9NQS5 1/20 0.41
ACHE P22303 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SLC11A2 P49281 1/20 0.36
AOC3 Q16853 2/20 0.36
BCHE P06276 1/20 0.35

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
SCHEMBL9865443 0.89 MAPT (0.43) HTR1AHTR2AHTR2CDRD4HTR7
SCHEMBL9868353 0.85 SLC11A2 (0.49) HTR1AHTR2AHTR2CMEN1KMT2A
SCHEMBL9865351 0.83 HTR1A (0.53) HTR1AHTR2AHTR2CDRD4HTR7
Hydrochloric Acid SCHEMBL10445024 0.82 HTR1A (0.51) HTR1AHTR2AHTR2CDRD4HTR7
Hydrochloric Acid SCHEMBL10445023 0.82 HTR1A (0.51) HTR1AHTR2AHTR2CDRD4HTR7
SCHEMBL9879719 0.79 ACHE (0.43) HRH3ACHETHRATHRBMEN1
SCHEMBL9867723 0.79 CD274 (0.43) ACHEPDCD1CD274BCHE
SCHEMBL9601994 0.75 ACHE (0.40) HTR1AHTR2AHTR7DRD3HRH3
SCHEMBL9601499 0.75 ACHE (0.41) HTR1AHTR2AHTR7DRD3HRH3
SCHEMBL9866167 0.73 ACHE (0.40) HTR1AHTR2AHTR2CACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed