SCHEMBL9865616

SCHEMBL9865616

O=c1cc2c(nn1-c1ccccn1)-c1ccc(OCCCN3CCOCC3)cc1CC2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.59
HTR2A P28223 3/20 0.59
HTR2C P28335 3/20 0.59
HTR7 P34969 3/20 0.59
DRD3 P35462 3/20 0.59
DRD4 P21917 2/20 0.59
HRH3 Q9Y5N1 5/20 0.56
HTR3A P46098 2/20 0.51
DRD2 P14416 2/20 0.51
SLC6A4 P31645 2/20 0.51
FLT3 P36888 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL9866367 0.82 HRH3 (0.52) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL27236993 0.75 DRD3 (1.00) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL14310794 0.74 HRH3 (0.72) HRH3HTR3A
SCHEMBL9865351 0.74 HTR1A (0.53) HTR1AHTR2AHTR2CHTR7DRD3
Hydrochloric Acid SCHEMBL10445023 0.73 HTR1A (0.51) HTR1AHTR2AHTR2CHTR7DRD3
Hydrochloric Acid SCHEMBL10445024 0.73 HTR1A (0.51) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL27583958 0.72 HRH3 (0.57) HTR2AHRH3
SCHEMBL1376529 0.72 HRH3 (1.00) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL1375437 0.70 HRH3 (0.73) HRH3
SCHEMBL6104659 0.70 HRH3 (0.57) HTR2AHRH3MAOAMAOB

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