SCHEMBL30847699

SCHEMBL30847699

CN(C(=O)Oc1c(N2CCNC2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cn1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.34
POLQ O75417 3/20 0.33
TACR1 P25103 3/20 0.32
TACR2 P21452 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GPBAR1 Q8TDU6 5/20 0.32
WDR5 P61964 1/20 0.32
LPL P06858 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
GRM5 P41594 1/20 0.31
CMA1 P23946 2/20 0.31
TDO2 P48775 1/20 0.31
NTRK1 P04629 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
SCHEMBL30847728 0.86 POLQ (0.42) TACR3POLQTACR1TACR2CMA1
SCHEMBL30847635 0.86 CMA1 (0.35) POLQCMA1NTRK1
SCHEMBL30847649 0.86 CMA1 (0.35) POLQCMA1NTRK1
SCHEMBL30847768 0.81 POLQ (0.40) POLQTACR1CMA1
SCHEMBL30847639 0.79 POLQ (0.41) POLQGPBAR1CMA1
SCHEMBL30847823 0.79 TACR1 (0.43) POLQTACR1LIPCLIPGCMA1
SCHEMBL30847821 0.79 POLQ (0.39) POLQCMA1
SCHEMBL30847750 0.78 LIPE (0.34) POLQCMA1
SCHEMBL30847696 0.78 POLQ (0.36) POLQTACR1TACR2
SCHEMBL30847815 0.76 GPBAR1 (0.40) POLQTACR1GPBAR1CMA1

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