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Sugi Predict / Compounds / SCHEMBL30847719

SCHEMBL30847719

SCHEMBL30847719

Cc1cc(C(F)(F)F)cc(N2CCNC2=O)c1CN(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 14/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ CMA1 P23946 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ P2RX7 Q99572 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
SCHEMBL30847625 0.77 POLQ (0.54) TACR1SLC6A4CMA1
SCHEMBL30847696 0.75 POLQ (0.36) TACR1SLC6A4
SCHEMBL30847690 0.71 PER2 (0.35) P2RX7
SCHEMBL30847754 0.71 CACNA1H (0.36) CMA1
SCHEMBL30847728 0.71 POLQ (0.42) TACR1SLC6A4CMA1
SCHEMBL30847777 0.68 CMA1 (0.40) ALDH1A1CMA1
SCHEMBL30847768 0.67 POLQ (0.40) TACR1CMA1
SCHEMBL30847628 0.67 POLQ (0.44) —
SCHEMBL20768063 0.67 CETP (0.42) TACR1
SCHEMBL30847823 0.67 TACR1 (0.43) TACR1SLC6A4CMA1

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