SCHEMBL30847744

SCHEMBL30847744

O=C1N(CC2CO2)CCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.36
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
SCN9A Q15858 3/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
RPS6KB1 P23443 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
GRM5 P41594 1/20 0.32
GRM3 Q14832 1/20 0.32
GRM2 Q14416 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32

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
SCHEMBL30847704 1.00 AR (0.36) ARDRD2DRD3SCN9AMEN1
SCHEMBL30847726 0.84 DRD2 (0.38) ARDRD2DRD3SCN9AMEN1
SCHEMBL30847685 0.80 MEN1 (0.35) ARDRD2DRD3SCN9AMEN1
SCHEMBL29317061 0.78 PPARG (0.41) ARMEN1ALDH1A1KMT2A
SCHEMBL30847670 0.78 DRD2 (0.36) DRD2DRD3SCN9AKCNH2
SCHEMBL30847604 0.78 DRD2 (0.36) DRD2DRD3SCN9AKCNH2
SCHEMBL30847803 0.78 DRD2 (0.36) DRD2DRD3SCN9AKCNH2
SCHEMBL30847650 0.76 ALOX5 (0.39) ARMEN1ALDH1A1KMT2ARPS6KB1
SCHEMBL30847657 0.75 SCN5A (0.43) SCN9APTPN2PTPN1PTPN6RXRA
SCHEMBL30847795 0.73 CYP1A2 (0.41) MEN1ALDH1A1KMT2ARPS6KB1PTPN2

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