SCHEMBL27039628

SCHEMBL27039628

Cc1cc(N2C=CC=NC2)ccc1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
ADRB1 P08588 7/20 0.46
HTR1A P08908 5/20 0.38
HTR7 P34969 5/20 0.37
RAD52 P43351 1/20 0.36
NCF1 P14598 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2B P41595 1/20 0.36
HTR5A P47898 1/20 0.36
HTR6 P50406 1/20 0.36
MAPKAPK2 P49137 1/20 0.35

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
SCHEMBL27040048 0.90 ADRB1 (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL27039521 0.81 ADRB2 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL27039624 0.75 HTR3A (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL30726269 0.75 HTR3A (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL255197 0.69 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL2534803 0.68 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL29310427 0.67 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL27040044 0.67 ADRB1 (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL651717 0.67 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7057761 0.67 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C

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-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 WO disclosed