SCHEMBL9602742

SCHEMBL9602742

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccccc2-3)cc1)CN(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 5/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 2/20 0.36
ADRA1A P35348 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.36
MCHR1 Q99705 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL10445204 0.91 HRH3 (0.42) HRH3ALDH1A1LMNAMAPTKMT2A
SCHEMBL9866414 0.89 HRH3 (0.38) HRH3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9602706 0.88 HRH3 (0.38) HRH3ALDH1A1LMNAMAPTKMT2A
SCHEMBL9866371 0.88 HRH3 (0.41) HRH3ALDH1A1MAPTKMT2AKDM4E
SCHEMBL9865164 0.87 MAOB (0.37) HRH3ALDH1A1LMNAMAPTKMT2A
SCHEMBL9603115 0.86 MCHR1 (0.48) HRH3ALDH1A1LMNAMAPTKMT2A
SCHEMBL9602962 0.85 HRH3 (0.36) HRH3ALDH1A1LMNAMAPTKMT2A
SCHEMBL9866408 0.82 MCHR1 (0.38) HRH3MCHR1
SCHEMBL10445029 0.80 MAPT (0.35) HRH3LMNAMAPTKMT2AKDM4E
SCHEMBL9866045 0.79 THRB (0.34) HRH3ALDH1A1MAPTKMT2AKDM4E

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