SCHEMBL25790762

SCHEMBL25790762

CN(C)CCc1n[nH]c2cccc(OCCN(C)CCc3n[nH]c4ccccc34)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 5/20 0.42
▸ HTR1D P28221 2/20 0.42
▸ HTR2A P28223 2/20 0.39
▸ CYBB P04839 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL19710704 0.79 HTR2A (0.50) HTR1BHTR1DHTR2AKDM4EALDH1A1
SCHEMBL26811444 0.78 HTR2A (0.62) HTR1DHTR2AHTR6HTR1A
SCHEMBL25248703 0.77 HTR6 (0.57) HTR2AKDM4EALDH1A1HTR7HTR6
SCHEMBL30566011 0.77 HTR6 (0.57) HTR2AKDM4EALDH1A1HTR7HTR6
SCHEMBL25790523 0.74 HTR2A (0.47) HTR1BHTR1DHTR2AHTR7HTR6
SCHEMBL25790778 0.72 HTR1B (0.42) HTR1BHTR1DCYBBNCF1KDM4E
SCHEMBL31411355 0.69 HTR2A (0.55) HTR1BHTR1DHTR2AHTR7HTR6
SCHEMBL30566017 0.69 HTR2A (0.55) HTR1BHTR1DHTR2AHTR7HTR6
SCHEMBL25297732 0.69 HTR2A (0.55) HTR1BHTR1DHTR2AHTR7HTR6
SCHEMBL25790773 0.69 HTR6 (0.47) HTR1BHTR1DHTR2AMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115165-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 — — WO disclosed
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