SCHEMBL9602850

SCHEMBL9602850

CC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
ATM Q13315 2/20 0.34
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
HTR6 P50406 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK14 Q16539 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL9603224 0.92 DRD2 (0.36) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL9602330 0.92 ESR1 (0.37) DRD2CNR2LMNASIGMAR1ESR1
SCHEMBL9602809 0.84 DRD2 (0.34) DRD2HTR1AHTR2ADRD3KCNH2
SCHEMBL9602515 0.84 ALDH1A1 (0.33) DRD2HTR2ALMNA
SCHEMBL9602555 0.84 ALDH1A1 (0.34) DRD2HTR2AMAPK14LMNA
Hydrochloric Acid SCHEMBL9602446 0.82 MAPK14 (0.46) DRD2HTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL9602451 0.82 MAPK14 (0.46) DRD2HTR1AHTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL9602310 0.82 S1PR1 (0.33) DRD2HTR2ALMNA
SCHEMBL9601947 0.81 ADRB1 (0.39) TDP1LMNA
SCHEMBL9601365 0.80 MAPK14 (0.35) DRD2HTR1AHTR2AHTR7DRD3

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