SCHEMBL29862805

SCHEMBL29862805

COc1ccc2c(N[C@@H]3CCNC3)ccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
CHEK2 O96017 3/20 0.52
CHEK1 O14757 2/20 0.52
FERMT2 Q96AC1 1/20 0.50
GAK O14976 1/20 0.48
RIPK2 O43353 1/20 0.48
COQ8A Q8NI60 1/20 0.48
NLK Q9UBE8 1/20 0.48
DYRK1A Q13627 1/20 0.48
ALK Q9UM73 1/20 0.46
KMT5B Q4FZB7 2/20 0.46
KMT5C Q86Y97 2/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NSD2 O96028 1/20 0.44
AXL P30530 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
Hydrochloric Acid SCHEMBL23360615 0.99 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BCHEK2
Hydrochloric Acid SCHEMBL29863037 0.99 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BCHEK2
Hydrochloric Acid SCHEMBL23360614 0.99 HTR1A (0.53) HTR1AADRA1DADRA1AADRA1BCHEK2
SCHEMBL3631574 0.91 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BCHEK2
SCHEMBL3631572 0.91 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BCHEK2
SCHEMBL29862969 0.91 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BCHEK2
Hydrochloric Acid SCHEMBL23360525 0.89 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BCHEK2
Hydrochloric Acid SCHEMBL23360528 0.89 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BCHEK2
SCHEMBL29863036 0.85 CHEK2 (0.46) HTR1AADRA1DADRA1AADRA1BCHEK2
SCHEMBL29862626 0.85 CHEK2 (0.46) HTR1AADRA1DADRA1AADRA1BCHEK2

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
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed