SCHEMBL9602794

SCHEMBL9602794

CC(COc1ccc(N2N=C3c4ccccc4SCC3CC2=O)cc1)CN(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.32
HTR1A P08908 2/20 0.32
ADRA2A P08913 2/20 0.32
CHRM1 P11229 2/20 0.32
DRD1 P21728 2/20 0.32
TBXA2R P21731 2/20 0.32
ADRA1A P35348 2/20 0.32
OPRM1 P35372 2/20 0.32
DRD3 P35462 2/20 0.32
KCNH2 Q12809 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
PTGS1 P23219 1/20 0.32
ABCB11 O95342 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL9865991 0.90 CDK4 (0.31) MAPTSMN1; SMN2
SCHEMBL9601582 0.85 MAPK14 (0.40) CYP1A2CYP3A4CYP2D6MEN1MAPT
Fumaric Acid SCHEMBL9603068 0.83 ALDH1A1 (0.34) LMNAMEN1NPC1MAPTKMT2A
Fumaric Acid SCHEMBL9603065 0.83 ALDH1A1 (0.34) LMNAMEN1NPC1MAPTKMT2A
SCHEMBL9603188 0.83 MAPT (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL10561829 0.81 MAPT (0.42) LMNAMAPK1MEN1NPC1MAPT
SCHEMBL9603113 0.81 MAPT (0.37) LMNAMEN1MAPTKMT2APDE4A
SCHEMBL9601971 0.80 KCNH2 (0.39) KCNH2CYP1A2CYP2D6HRH3MAPT
Fumaric Acid SCHEMBL9602434 0.79 KMT2A (0.42) LMNAMEN1MAPTKMT2ASMN1; SMN2
Fumaric Acid SCHEMBL9602442 0.79 KMT2A (0.42) LMNAMEN1MAPTKMT2ASMN1; SMN2

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 2 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