SCHEMBL9601499

SCHEMBL9601499

CN(C)CCCOc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK14 Q16539 1/20 0.38
DRD2 P14416 3/20 0.38
CACNA1B Q00975 4/20 0.38
CACNA1H O95180 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
PLA2G7 Q13093 1/20 0.36
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL9879719 0.93 ACHE (0.43) ACHEMAPK14DRD2HRH3CYP1A2
SCHEMBL9601994 0.91 ACHE (0.40) ACHEKDM4ESMN1; SMN2DRD2CACNA1B
Fumaric Acid SCHEMBL9601552 0.89 L3MBTL1 (0.37) ACHEKDM4ESMN1; SMN2MAPK14DRD2
Fumaric Acid SCHEMBL9868348 0.89 L3MBTL1 (0.37) ACHEKDM4ESMN1; SMN2MAPK14DRD2
Hydrochloric Acid SCHEMBL9603029 0.87 MAPK14 (0.40) ACHEMAPK14DRD2HRH3MAPT
SCHEMBL9602515 0.85 ALDH1A1 (0.33) ACHEKDM4EDRD2PLA2G7MAPT
Hydrochloric Acid SCHEMBL9602310 0.85 S1PR1 (0.33) ACHEKDM4EDRD2PLA2G7MAPT
SCHEMBL9866167 0.84 ACHE (0.40) ACHEKDM4ECACNA1BCACNA1HHTR1A
SCHEMBL9601493 0.84 MAPT (0.40) KDM4ESMN1; SMN2DRD2PLA2G7MAPT
SCHEMBL9602772 0.83 MCHR1 (0.35) ACHEKDM4EDRD2MAPT

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