SCHEMBL23097577

SCHEMBL23097577

N#Cc1ccc(N2CCN(CCCOc3ccc(NC(N)=O)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.59
HRH1 P35367 4/20 0.59
KCNA5 P22460 3/20 0.56
KCNH2 Q12809 1/20 0.53
HRH2 P25021 3/20 0.52
DRD2 P14416 1/20 0.52
MAPT P10636 4/20 0.50
TSHR P16473 2/20 0.50
HTR2A P28223 2/20 0.50
HPGD P15428 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTR1A P08908 1/20 0.50
TP53 P04637 1/20 0.50
CACNA1B Q00975 1/20 0.49

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
SCHEMBL23097759 0.88 MAPT (0.59) HRH3HRH1KCNH2HRH2DRD2
SCHEMBL23097681 0.88 DRD2 (0.53) HRH3HRH1KCNH2HRH2DRD2
SCHEMBL23097688 0.87 SLC6A2 (0.57) HRH3HRH1KCNH2HRH2DRD2
SCHEMBL2020791 0.87 DRD2 (0.64) HRH3HRH1KCNH2HRH2DRD2
SCHEMBL23097617 0.87 MAPT (0.59) HRH3KCNA5KCNH2DRD2MAPT
SCHEMBL23097690 0.87 MAPT (0.65) KCNH2DRD2MAPTHSD17B10TP53
SCHEMBL23097610 0.87 KCNH2 (0.69) HRH3HRH1KCNA5KCNH2HRH2
SCHEMBL23097600 0.87 HTR1A (0.66) HRH3HRH1HRH2DRD2MAPT
SCHEMBL23097804 0.85 MAPT (0.61) HRH3KCNH2DRD2MAPTTSHR
SCHEMBL23097724 0.85 DRD2 (0.57) HRH3HRH1KCNH2HRH2DRD2

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-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed