SCHEMBL21154239

SCHEMBL21154239

CN(C)C1=Nc2cc(Cl)ccc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
CTSD P07339 3/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HTR3A P46098 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
HTR5A P47898 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33
CYP1A2 P05177 1/20 0.32
PRMT5 O14744 1/20 0.32
MAT2A P31153 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 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
SCHEMBL29292325 0.86 PDE3B (0.38) ACHEKMT2AGAAHTR3AHTR3E
SCHEMBL11457005 0.74 MAPT (0.41) ACHECTSDKMT2AGAAHTR3A
SCHEMBL7463606 0.70 MAPK1 (0.40) ACHECTSDKMT2AGAACMA1
SCHEMBL11458458 0.68 NPC1 (0.36) ACHECTSDKMT2AGAAHTR3A
SCHEMBL12428729 0.68 OPRK1 (0.55) KMT2AGAACYP1A2PRMT5MAT2A
SCHEMBL11019902 0.67 HTR2A (0.33) KMT2AGAAHTR3AHTR3EHTR3B
Bromide SCHEMBL11466742 0.67 NPC1 (0.35) ACHECTSDKMT2AGAAHTR3A
SCHEMBL14507200 0.66 MAPK1 (0.44) ACHECTSDHRH4CYP1A2KDM4E
SCHEMBL12777303 0.66 GRM2 (0.46) ACHECTSDKMT2AKDM4EMEN1
SCHEMBL24330116 0.65 ACHE (0.67) ACHEHRH4KDM4ENPC1MAPT

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-3735411-B1 1,3,4,5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER`S DISEASE AC IMMUNE SA (CH) 2024-07-10 EP disclosed
WO-2019134978-A1 1, 3, 4, 5-TETRAHYDRO-2H-PYRIDO[4,3-B]INDOLE DERIVATIVES FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES LIKE ALZHEIMER'S DISEASE AC IMMUNE SA (CH) 2019-07-11 WO disclosed