SCHEMBL23770804

SCHEMBL23770804

Sc1cccc(N2CCNCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 4/20 0.64
HTR3B O95264 4/20 0.64
HTR3A P46098 4/20 0.64
HTR3D Q70Z44 4/20 0.64
HTR3C Q8WXA8 4/20 0.64
ALDH1A1 P00352 2/20 0.64
PLD1 Q13393 2/20 0.53
ADRB1 P08588 3/20 0.53
HTR6 P50406 3/20 0.53
HTR2C P28335 2/20 0.53
CYP1A2 P05177 2/20 0.53
HTR1A P08908 2/20 0.53
HTR7 P34969 2/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL13551125 0.82 PDE10A (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13551052 0.82 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1433085 0.81 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6242154 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL29574271 0.80 ALDH1A1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL17610076 0.80 ALDH1A1 (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13755706 0.79 HTR3E (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4950526 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4501136 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2586058 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed