SCHEMBL30854844

SCHEMBL30854844

O=C(c1cc(Br)cnc1Cl)N(CC1OCCO1)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.31
ALDH1A1 P00352 1/20 0.31
S1PR3 Q99500 1/20 0.31
CNR2 P34972 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL29203819 1.00 OPRK1 (0.31) OPRK1ALDH1A1S1PR3CNR2ATM
SCHEMBL29203807 0.89 ATM (0.36) OPRK1ALDH1A1S1PR3ATM
SCHEMBL29203739 0.86 SLC6A2 (0.37) OPRK1S1PR3CNR2
SCHEMBL29203811 0.86 ATM (0.42) ALDH1A1ATM
SCHEMBL29203746 0.85 NSD2 (0.38) OPRK1S1PR3
SCHEMBL29203749 0.83 ALDH1A1 (0.33) OPRK1ALDH1A1
SCHEMBL29203809 0.80 ALDH1A1 (0.40) ALDH1A1ATM
SCHEMBL29203818 0.80 SLC6A2 (0.42) OPRK1ALDH1A1CNR2
SCHEMBL29203758 0.80 OPRK1 (0.38) OPRK1CNR2
SCHEMBL29203767 0.79 SLC6A2 (0.35) OPRK1

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-117736196-A Pyridine amide derivative and application thereof 顺毅股份有限公司 2024-03-22 CN disclosed