SCHEMBL30847677

SCHEMBL30847677

O=C1N(CCOC(F)F)CCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
DRD3 P35462 5/20 0.36
KCNH2 Q12809 4/20 0.35
HDAC1 Q13547 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
SCHEMBL30847611 0.84 DRD3 (0.40) DRD2DRD3KCNH2HDAC1
SCHEMBL30847656 0.81 DRD2 (0.34) DRD2DRD3KCNH2
SCHEMBL30847729 0.76 POLQ (0.38) DRD2DRD3
SCHEMBL30847735 0.76 POLQ (0.38) DRD2DRD3
SCHEMBL30847803 0.76 DRD2 (0.36) DRD2DRD3KCNH2HDAC1
SCHEMBL30847604 0.76 DRD2 (0.36) DRD2DRD3KCNH2HDAC1
SCHEMBL30847670 0.76 DRD2 (0.36) DRD2DRD3KCNH2HDAC1
SCHEMBL30847580 0.69 SCN5A (0.43)
SCHEMBL30847593 0.69 TACR1 (0.33)
SCHEMBL30847592 0.67 CMA1 (0.34)

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