SCHEMBL26136702

SCHEMBL26136702

NC(=O)C(c1ncccn1)C1CNC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.30
CYP2C19 P33261 1/20 0.30
SSTR4 P31391 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL26135597 0.83 SLC6A2 (0.38) SLC6A4SLC6A3KDM4EPARP1
SCHEMBL2177879 0.65 P2RX7 (0.37) KDM4EPARP1
SCHEMBL2177883 0.65 P2RX7 (0.37) KDM4EPARP1
SCHEMBL1483488 0.63 EPHX1 (0.37) KDM4EPARP1
SCHEMBL27746280 0.62 SLC6A2 (0.48) SLC6A4SLC6A3
SCHEMBL18547313 0.62 SLC6A4 (0.53) SLC6A4SLC6A3
SCHEMBL21905026 0.61
SCHEMBL7833643 0.61 FFAR2 (0.39) KDM4EPARP1
SCHEMBL2431567 0.59 P2RX7 (0.36) KDM4E
SCHEMBL2168915 0.59 NAALAD2 (0.36)

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-2023185073-A1 PARP7 INHIBITOR AND USE THEREOF 诺沃斯达药业(上海)有限公司 2023-10-05 WO disclosed