SCHEMBL9602962

SCHEMBL9602962

CC(COc1ccc(-n2nc3c(cc2=O)CSc2ccccc2-3)cc1)CN(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
CHRM2 P08172 2/20 0.33
ADRA2A P08913 2/20 0.33
CYP2D6 P10635 2/20 0.33
CHRM1 P11229 2/20 0.33
ADRA1A P35348 2/20 0.33
DRD3 P35462 2/20 0.33
KCNH2 Q12809 2/20 0.33
LMNA P02545 2/20 0.33
KDR P35968 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL9602675 0.89 TOP1 (0.38) HRH3CHRM2ADRA2ACYP2D6CHRM1
SCHEMBL9602979 0.87 MCHR1 (0.43) HRH3CHRM2ADRA2ACYP2D6CHRM1
SCHEMBL9866081 0.87 HRH3 (0.33) HRH3DRD2CA12CA1CA2
SCHEMBL9602742 0.85 HRH3 (0.45) HRH3CHRM2ADRA2ACYP2D6CHRM1
SCHEMBL9865164 0.84 MAOB (0.37) HRH3CHRM2ADRA2ACYP2D6CHRM1
SCHEMBL10445204 0.81 HRH3 (0.42) HRH3LMNAALDH1A1KDM4EMCHR1
SCHEMBL9603117 0.79 CDK4 (0.39) ALDH1A1HTT
SCHEMBL9866371 0.79 HRH3 (0.41) HRH3ALDH1A1KDM4EMCHR1MEN1
SCHEMBL9866414 0.78 HRH3 (0.38) HRH3ALDH1A1KDM4EMCHR1MEN1
SCHEMBL9865898 0.78 CA12 (0.35) HRH3KDRALDH1A1CA12CA1

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
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
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