SCHEMBL9601994

SCHEMBL9601994

CN(C)CCCOc1cccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CACNA1B Q00975 2/20 0.38
CACNA1H O95180 1/20 0.38
CACNA2D1 P54289 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
DRD2 P14416 4/20 0.35
GALR3 O60755 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL9601499 0.91 ACHE (0.41) ACHECACNA1BCACNA1HDRD2HRH3
SCHEMBL9602137 0.86 S1PR1 (0.32) ACHEDRD2KDM4EALDH1A1
SCHEMBL9879719 0.86 ACHE (0.43) ACHEDRD2HRH3
SCHEMBL9602191 0.86 DRD2 (0.32) DRD2KDM4EALDH1A1
SCHEMBL9866167 0.85 ACHE (0.40) ACHECACNA1BCACNA1HHTR1AHTR2A
Fumaric Acid SCHEMBL9602825 0.84 MAPK14 (0.36) ACHEGALR3HRH3HTR1AKDM4E
Maleic Acid SCHEMBL9602819 0.84 MAPK14 (0.36) ACHEGALR3HRH3HTR1AKDM4E
Fumaric Acid SCHEMBL9601552 0.81 L3MBTL1 (0.37) ACHEDRD2HRH3KDM4ESMN1; SMN2
Fumaric Acid SCHEMBL9868348 0.81 L3MBTL1 (0.37) ACHEDRD2HRH3KDM4ESMN1; SMN2
Fumaric Acid SCHEMBL9866670 0.81 LMNA (0.34) DRD2KDM4EALDH1A1

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 5 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 claimed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP claimed
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