SCHEMBL29313792

SCHEMBL29313792

CN(C(=O)Oc1c(-n2ccn(CCC3CNCCO3)c2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 8/20 0.34
POLQ O75417 2/20 0.34
TACR1 P25103 7/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL29313797 0.88 POLQ (0.34) POLQ
SCHEMBL29313754 0.83 POLQ (0.37) SLC6A2SLC6A3SLC6A4POLQTACR1
SCHEMBL29313744 0.83 POLQ (0.38) SLC6A4POLQTACR1
SCHEMBL29313751 0.81 POLQ (0.39) POLQTACR1
SCHEMBL29313749 0.80 POLQ (0.38) POLQTACR1
SCHEMBL29313807 0.80 POLQ (0.35) POLQ
SCHEMBL29313794 0.80 POLQ (0.37) SLC6A2SLC6A3SLC6A4POLQ
SCHEMBL29313711 0.80 TACR1 (0.36) SLC6A4POLQTACR1
SCHEMBL29313752 0.79 POLQ (0.38) POLQTACR1
SCHEMBL29313795 0.79 POLQ (0.38) POLQ

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