SCHEMBL29797374

SCHEMBL29797374

C#CCCCc1ccc2cccnc2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 15/20 0.45
PDE10A Q9Y233 2/20 0.44
OXGR1 Q96P68 2/20 0.42
ALDH1A1 P00352 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20153361 1.00 SUCNR1 (0.45) SUCNR1PDE10AOXGR1ALDH1A1KDM4E
SCHEMBL5857571 0.86 ATM (0.51) SUCNR1PDE10AOXGR1
SCHEMBL6129289 0.80 KCNH2 (0.55) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL276117 0.80 SUCNR1 (0.50) SUCNR1PDE10AOXGR1ALDH1A1KDM4E
SCHEMBL6899530 0.80 SUCNR1 (0.47) SUCNR1PDE10AOXGR1ALDH1A1
SCHEMBL20517681 0.79 SUCNR1 (0.49) SUCNR1PDE10AOXGR1KDM4EMEN1
SCHEMBL12895009 0.78 PDE10A (0.49) SUCNR1PDE10AOXGR1ALDH1A1KDM4E
SCHEMBL30930276 0.77 SUCNR1 (0.50) SUCNR1PDE10AOXGR1
SCHEMBL20481012 0.76 SUCNR1 (0.47) SUCNR1PDE10AOXGR1ALDH1A1LMNA
SCHEMBL23083184 0.76 PDE10A (0.49) SUCNR1PDE10AOXGR1ALDH1A1KDM4E

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-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed