SCHEMBL30847754

SCHEMBL30847754

O=C(O)Cc1c(N2CCNC2=O)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.36
CMA1 P23946 11/20 0.36
GPR17 Q13304 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
FFAR4 Q5NUL3 2/20 0.34
MGAT2 Q10469 1/20 0.34

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
SCHEMBL30847777 0.84 CMA1 (0.40) CACNA1HCMA1
SCHEMBL30847625 0.80 POLQ (0.54) CMA1MGAT2
SCHEMBL30847592 0.79 CMA1 (0.34) CACNA1HCMA1MGAT2
SCHEMBL30847650 0.71 ALOX5 (0.39) RXRARXRBRXRGMGAT2
SCHEMBL30847719 0.71 TACR1 (0.38) CMA1
SCHEMBL29315902 0.68 RXRA (0.44) GPR17PTGDR2RXRARXRBRXRG
SCHEMBL40666 0.68 ADRB1 (0.51) CMA1
SCHEMBL13735640 0.66 SCN9A (0.46) CMA1
SCHEMBL20768063 0.65 CETP (0.42)
SCHEMBL7392895 0.64 HCAR1 (0.46) CMA1

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