SCHEMBL30847713

SCHEMBL30847713

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLQ O75417 5/20 0.41
P2RX7 Q99572 4/20 0.32
DRD2 P14416 5/20 0.32
DRD3 P35462 5/20 0.32
TACR1 P25103 5/20 0.31
TACR3 P29371 1/20 0.31
KCNH2 Q12809 3/20 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
SCHEMBL30847678 0.94 POLQ (0.43) POLQP2RX7DRD2DRD3KCNH2
SCHEMBL30847717 0.91 DRD3 (0.35) POLQP2RX7DRD2DRD3KCNH2
SCHEMBL30847735 0.89 POLQ (0.38) POLQP2RX7DRD2DRD3TACR1
SCHEMBL30847729 0.89 POLQ (0.38) POLQP2RX7DRD2DRD3TACR1
SCHEMBL30847772 0.89 POLQ (0.38) POLQP2RX7DRD2DRD3TACR1
SCHEMBL30847774 0.88 POLQ (0.41) POLQP2RX7TACR1
SCHEMBL30847786 0.88 POLQ (0.39) POLQP2RX7TACR1
SCHEMBL30847546 0.88 POLQ (0.37) POLQ
SCHEMBL30847767 0.88 POLQ (0.39) POLQDRD2DRD3TACR1TACR3
SCHEMBL30847683 0.87 POLQ (0.38) POLQP2RX7TACR1

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