SCHEMBL9865351

SCHEMBL9865351

O=C1CC2CCc3cc(OCCCN4CCOCC4)ccc3C2=NN1c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
HTR2A P28223 3/20 0.53
HTR2C P28335 3/20 0.53
HTR7 P34969 3/20 0.53
DRD3 P35462 3/20 0.53
DRD4 P21917 2/20 0.53
SLC6A4 P31645 3/20 0.46
DRD2 P14416 2/20 0.46
FLT3 P36888 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NFE2L2 Q16236 1/20 0.42

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
Hydrochloric Acid SCHEMBL10445024 0.98 HTR1A (0.51) HTR1AHTR2AHTR2CHTR7DRD3
Hydrochloric Acid SCHEMBL10445023 0.98 HTR1A (0.51) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL9866558 0.84 HRH3 (0.45) HRH3
Hydrochloric Acid SCHEMBL9865627 0.84 HRH3 (0.46) HRH3
Hydrochloric Acid SCHEMBL9865621 0.84 HRH3 (0.46) HRH3
SCHEMBL9866508 0.83 HTR1A (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL9865443 0.81 MAPT (0.43) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL9868353 0.81 SLC11A2 (0.49) HTR1AHTR2AHTR2CDRD2
Hydrochloric Acid SCHEMBL9866019 0.77 DRD2 (0.44) DRD2HRH3
Hydrochloric Acid SCHEMBL9866011 0.77 DRD2 (0.44) DRD2HRH3

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-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed