SCHEMBL31648259

SCHEMBL31648259

O=C(O)Cn1nc(C2CC2)c(Br)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.48
▸ LMNA P02545 3/20 0.40
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CNR1 P21554 1/20 0.35
▸ POLQ O75417 6/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL31648260 0.80 LMNA (0.41) EPHX2LMNATSHRNPSR1CNR1
SCHEMBL31648461 0.73 POLQ (0.47) LMNATSHRNPSR1POLQALDH1A1
SCHEMBL31648333 0.71 POLQ (0.42) LMNATSHRNPSR1POLQALDH1A1
SCHEMBL14489168 0.71 LMNA (0.38) LMNATSHRNPSR1POLQALDH1A1
SCHEMBL31648570 0.71 EPHX2 (0.44) EPHX2LMNATSHRNPSR1CNR1
SCHEMBL24076290 0.69 AKR1B1 (0.46) CNR1PTGDR2
SCHEMBL31648724 0.68 POLQ (0.41) LMNATSHRNPSR1POLQPTGDR2
SCHEMBL31648588 0.68 GRIN1 (0.45) EPHX2LMNATSHRNPSR1ALDH1A1
SCHEMBL14555664 0.68 POLB (0.58) GAA
SCHEMBL14484375 0.67 POLQ (0.62) LMNATSHRNPSR1POLQALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025132946-A1 PHENYLPYRROLIDINE DERIVATIVES AND THEIR USE AS POI-THETA DERIVATIVES BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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