SCHEMBL31648461

SCHEMBL31648461

CC1CCc2c1nn(CC(=O)O)c2C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 9/20 0.47
▸ LMNA P02545 4/20 0.43
▸ TSHR P16473 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 2/20 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
SCHEMBL31648679 0.84 POLQ (0.43) POLQTSHRALDH1A1HTT
SCHEMBL31648531 0.80 ALDH1A1 (0.46) POLQLMNATSHRNPSR1ALDH1A1
SCHEMBL31648333 0.77 POLQ (0.42) POLQLMNATSHRNPSR1ALDH1A1
Hydrochloric Acid SCHEMBL31648774 0.76 POLQ (0.38) POLQLMNAALDH1A1HTT
SCHEMBL31648724 0.75 POLQ (0.41) POLQLMNATSHRNPSR1ALDH1A1
SCHEMBL31648259 0.73 EPHX2 (0.48) POLQLMNATSHRNPSR1ALDH1A1
SCHEMBL14484375 0.73 POLQ (0.62) POLQLMNATSHRNPSR1ALDH1A1
SCHEMBL31648311 0.72 ALDH1A1 (0.44) POLQLMNATSHRNPSR1ALDH1A1
Lithium Ion SCHEMBL31648480 0.72 POLQ (0.35) POLQTSHR
SCHEMBL31648260 0.71 LMNA (0.41) POLQLMNATSHRNPSR1ALDH1A1

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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