SCHEMBL31399690

SCHEMBL31399690

CN(CCN1CCN(S(=O)(=O)c2cccc3c(OC(F)F)nccc23)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.35
▸ DRD2 P14416 8/20 0.35
▸ HTR2A P28223 8/20 0.35
▸ HTR7 P34969 8/20 0.35
▸ HTR6 P50406 8/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PRKX P51817 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
SCHEMBL31399689 0.82 TGM2 (0.44) ALDH1A1LMNASMN1; SMN2GAATSHR
SCHEMBL31399739 0.78 TGM2 (0.46) ALDH1A1LMNASMN1; SMN2GAATSHR
SCHEMBL31399745 0.75 TGM2 (0.47) ALDH1A1LMNASMN1; SMN2GAATSHR
SCHEMBL31399713 0.75 ROCK2 (0.41) ALDH1A1LMNASMN1; SMN2GAATSHR
SCHEMBL31399729 0.75 TGM2 (0.46) ALDH1A1LMNASMN1; SMN2GAATSHR
SCHEMBL31399681 0.73 ROCK2 (0.59) HTR1AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL31399687 0.72 ROCK2 (0.49) HTR1AALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL31399701 0.71 HSD11B1 (0.51) TGM2
SCHEMBL31399710 0.70 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2GAATSHR
SCHEMBL31399750 0.70 TGM2 (0.64) ALDH1A1LMNASMN1; SMN2GAATSHR

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-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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