SCHEMBL30847772

SCHEMBL30847772

CN(C(=O)Oc1c(N2CCN(CCN3CCOCC3)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLQ O75417 2/20 0.38
DRD3 P35462 6/20 0.37
DRD2 P14416 5/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
TACR1 P25103 3/20 0.35
SCN9A Q15858 1/20 0.35
P2RX7 Q99572 3/20 0.35
KCNH2 Q12809 4/20 0.35
HDAC1 Q13547 1/20 0.34
TACR3 P29371 2/20 0.34
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL30847767 0.91 POLQ (0.39) POLQDRD3DRD2TACR1KCNH2
SCHEMBL30847713 0.89 POLQ (0.41) POLQDRD3DRD2TACR1P2RX7
SCHEMBL30847630 0.88 DRD3 (0.39) POLQDRD3DRD2TACR1KCNH2
SCHEMBL30847735 0.86 POLQ (0.38) POLQDRD3DRD2TACR1P2RX7
SCHEMBL30847729 0.86 POLQ (0.38) POLQDRD3DRD2TACR1P2RX7
SCHEMBL30847683 0.85 POLQ (0.38) POLQTACR1P2RX7
SCHEMBL30847774 0.85 POLQ (0.41) POLQTACR1P2RX7
SCHEMBL30847786 0.85 POLQ (0.39) POLQTACR1SCN9AP2RX7HDAC1
SCHEMBL30847546 0.84 POLQ (0.37) POLQ
SCHEMBL30847678 0.84 POLQ (0.43) POLQDRD3DRD2P2RX7KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4598901-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF Thomas Jefferson University (US) 2025-08-13 EP disclosed
WO-2024076964-A1 PYRROLIDINE AND IMIDAZOLIDINE BASED DNA POLYMERASE THETA INHIBITORS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-04-11 WO disclosed