SCHEMBL30847690

SCHEMBL30847690

CN(C)CC(O)CN1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2CN(C(=O)O)c2ccc(F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.35
CRY2 Q49AN0 5/20 0.35
POLQ O75417 5/20 0.34
P2RX7 Q99572 4/20 0.31
SCN9A Q15858 4/20 0.31
CETP P11597 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 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
SCHEMBL30847627 0.81 POLQ (0.38) PER2CRY2POLQP2RX7SCN9A
SCHEMBL30847578 0.79 POLQ (0.40) PER2CRY2POLQ
SCHEMBL30847557 0.79 POLQ (0.40) PER2CRY2POLQ
SCHEMBL30847785 0.79 POLQ (0.40) PER2CRY2POLQ
SCHEMBL30847687 0.72 POLQ (0.37) PER2CRY2POLQSCN9A
SCHEMBL30847786 0.72 POLQ (0.39) PER2CRY2POLQP2RX7SCN9A
SCHEMBL30847719 0.71 TACR1 (0.38) P2RX7
SCHEMBL30847718 0.69 POLQ (0.39) PER2CRY2POLQ
SCHEMBL30847625 0.66 POLQ (0.54) POLQ
SCHEMBL30847713 0.66 POLQ (0.41) POLQP2RX7

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