SCHEMBL29313495

SCHEMBL29313495

CN(C(=O)Oc1c(/C(C=N)=C/NC2CCN(CCO)CC2)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
POLQ O75417 2/20 0.35
SLC6A5 Q9Y345 2/20 0.34
CCR2 P41597 3/20 0.32
TRPV4 Q9HBA0 1/20 0.32
MCHR1 Q99705 1/20 0.32
DCUN1D1 Q96GG9 6/20 0.31
UBE2M P61081 5/20 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
SCHEMBL29313553 0.88 NPY5R (0.39) HRH3POLQ
SCHEMBL29313500 0.87 POLQ (0.36) POLQ
SCHEMBL29313440 0.85 POLQ (0.37) POLQ
SCHEMBL29313554 0.84 POLQ (0.36) POLQ
SCHEMBL29313248 0.84 POLQ (0.34) POLQCCR2
SCHEMBL29313396 0.83 POLQ (0.35) KCNH2POLQCCR2
SCHEMBL29313217 0.83 CCR2 (0.38) POLQCCR2
SCHEMBL29313399 0.83 POLQ (0.34) POLQ
SCHEMBL29313218 0.82 TACR1 (0.36) POLQCCR2
SCHEMBL29313441 0.81 POLQ (0.41) 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