SCHEMBL9868430

SCHEMBL9868430

Cc1ccc(N2N=C3c4ccc(OC(C)CN(C)C)cc4CCC3CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
MCHR1 Q99705 1/20 0.34
ACHE P22303 1/20 0.34
KCNH2 Q12809 1/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMURF2 Q9HAU4 1/20 0.32
SMURF1 Q9HCE7 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
AOC3 Q16853 1/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 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
SCHEMBL9866052 0.93 MCHR1 (0.34) TOP1MCHR1ACHETP53POLB
SCHEMBL9865229 0.91 TOP1 (0.35) TOP1HRH3MCHR1ACHEKCNH2
SCHEMBL9602580 0.87 MCHR1 (0.39) TOP1MCHR1ACHENPC1MAPK1
SCHEMBL9866395 0.87 TOP1 (0.37) TOP1HRH3MCHR1ACHEKCNH2
SCHEMBL9603147 0.84 MCHR1 (0.35) TOP1MCHR1ACHEHTTMEN1
SCHEMBL9602772 0.84 MCHR1 (0.35) TOP1MCHR1ACHEMAOB
SCHEMBL10366166 0.83 MEN1 (0.43) HRH3KCNH2MAOBNPC1MAPK1
SCHEMBL9865917 0.81 MAOA (0.34) HRH3ACHES1PR1S1PR3MAOA
Fumaric Acid SCHEMBL9867491 0.81 ALDH1A1 (0.35) MCHR1NPC1MAPK1RAB9AMEN1
Fumaric Acid SCHEMBL9867501 0.81 ALDH1A1 (0.35) MCHR1NPC1MAPK1RAB9AMEN1

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
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