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SCHEMBL29313744

SCHEMBL29313744

CN(C(=O)Oc1c(-n2ccn(CC3CNC3)c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 3/20 0.38
▸ TACR1 P25103 7/20 0.33
▸ SLC6A4 P31645 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CACNA1G O43497 1/20 0.30
▸ CACNA1H O95180 1/20 0.30
▸ LIPE Q05469 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
SCHEMBL29313749 0.91 POLQ (0.38) POLQTACR1
SCHEMBL29313754 0.84 POLQ (0.37) POLQTACR1SLC6A4
SCHEMBL29313807 0.84 POLQ (0.35) POLQ
SCHEMBL29313806 0.84 POLQ (0.34) POLQTACR1
SCHEMBL29313792 0.83 SLC6A2 (0.35) POLQTACR1SLC6A4
SCHEMBL29313751 0.83 POLQ (0.39) POLQTACR1MAPTRXFP1
SCHEMBL29313704 0.82 POLQ (0.39) POLQMAPTRXFP1
SCHEMBL29313711 0.82 TACR1 (0.36) POLQTACR1SLC6A4
SCHEMBL29313752 0.82 POLQ (0.38) POLQTACR1MAPTRXFP1
SCHEMBL29313703 0.82 TACR1 (0.39) POLQTACR1SLC6A4

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-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 — — WO disclosed