SCHEMBL30456151

SCHEMBL30456151

C=CC[C@H]1CNC[C@@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.49
ACHE P22303 2/20 0.42
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GBA1 P04062 1/20 0.38
REN P00797 6/20 0.37
HTR2C P28335 1/20 0.36

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
SCHEMBL8172047 0.81 BCHE (0.53) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL2977281 0.80 BCHE (0.44) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL7405178 0.80 BCHE (0.44) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL4736657 0.79 BCHE (0.57) BCHEACHESLC6A2SLC6A4SLC6A3
SCHEMBL4736581 0.79 BCHE (0.57) BCHEACHESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL1572929 0.78 BCHE (0.56) BCHEACHESLC6A2SLC6A4SLC6A3
SCHEMBL30287794 0.76 BCHE (0.60) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL11380106 0.76 BCHE (0.60) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL2969030 0.75 BCHE (0.41) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL24215025 0.75 HTR2C (0.47) BCHEHTR2C

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-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed