SCHEMBL9602165

SCHEMBL9602165

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(F)cc2-3)cc1)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.41
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35
ESR1 P03372 5/20 0.34
ESR2 Q92731 3/20 0.34
GPR119 Q8TDV5 2/20 0.34
DRD2 P14416 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
SCHEMBL9602428 0.93 HRH3 (0.41) HRH3ALDH1A1GAAKMT2AMCHR1
SCHEMBL9602911 0.91 HRH3 (0.38) HRH3ALDH1A1GAAKMT2ADRD2
SCHEMBL9601550 0.85 HRH3 (0.40) HRH3ALDH1A1GAAKMT2AMCHR1
SCHEMBL9602093 0.84 HRH3 (0.39) HRH3ALDH1A1GAAKMT2ADRD2
SCHEMBL9601997 0.84 HRH3 (0.39) HRH3ALDH1A1GAAKMT2ADRD2
SCHEMBL9602826 0.84 ATM (0.48) KMT2A
SCHEMBL9867239 0.84 HRH3 (0.39) HRH3MCHR1DRD2
SCHEMBL9602367 0.83 ATM (0.47) KMT2ADRD2
SCHEMBL9873107 0.83 HRH3 (0.38) HRH3ALDH1A1GAAKMT2ADRD2
SCHEMBL9602957 0.82 PTGS1 (0.42) KMT2A

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