SCHEMBL11979702

SCHEMBL11979702

COc1ccc2c(Cc3cccc(C4=NNNN4)n3)c(C(C)(C)C)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.39
DYRK1A Q13627 6/20 0.35
GPR17 Q13304 1/20 0.32
MPO P05164 1/20 0.32
KDM4E B2RXH2 6/20 0.31
ALDH1A1 P00352 4/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 2/20 0.31
MAOA P21397 2/20 0.31
ACHE P22303 2/20 0.31
HTR2C P28335 2/20 0.31
HTR7 P34969 2/20 0.31
HTR6 P50406 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP2E1 P05181 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 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
SCHEMBL15975201 0.86 PDE10A (0.38) PDE10ADYRK1AGPR17MPOKDM4E
SCHEMBL15975203 0.85 PDE10A (0.38) PDE10ADYRK1AGPR17MPOKDM4E
SCHEMBL11979697 0.85 TUBB4A (0.43) PDE10AKDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL11979700 0.84 PDE10A (0.36) PDE10AMAPT
SCHEMBL11978295 0.84 PDE10A (0.37) PDE10ADYRK1AGPR17MPOKDM4E
SCHEMBL15975133 0.83 PDE10A (0.37) PDE10ADYRK1AGPR17MPOKDM4E
SCHEMBL11979709 0.83 CYP19A1 (0.48) PDE10A
SCHEMBL15975112 0.83 MTNR1A (0.40) PDE10ADYRK1AKDM4EALDH1A1CYP3A4
SCHEMBL11979699 0.81 TUBB4A (0.44) PDE10ANPC1
SCHEMBL11979710 0.81 ALDH1A1 (0.44) PDE10ADYRK1AKDM4EALDH1A1HPGD

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
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
WO-2012102255-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME キッセイ薬品工業株式会社 (JP) 2012-08-02 WO disclosed