SCHEMBL30699799

SCHEMBL30699799

O=C(c1cnn[nH]1)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ ALPL P05186 4/20 0.40
▸ PTK2 Q05397 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ GNE Q9Y223 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL2817211 0.70 RBP4 (0.53) HPGDALDH1A1MMP2MMP9MMP13
SCHEMBL1948472 0.69 — —
Hydrochloric Acid SCHEMBL28185279 0.67 — —
SCHEMBL28185278 0.67 — —
SCHEMBL4940541 0.67 — —
SCHEMBL21964601 0.66 ALPL (0.49) HPGDALDH1A1ALPLKDM4EHRH4
SCHEMBL28263515 0.66 — —
SCHEMBL5833565 0.65 CA12 (0.56) HPGDALDH1A1NPC1RAB9AGNE
SCHEMBL14235380 0.65 ALPL (0.48) HPGDALPLKDM4ENPC1RAB9A
SCHEMBL25060915 0.64 — —

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-4543870-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-04-30 — — EP claimed
WO-2023247670-A1 NEW HETEROCYCLIC-CARBONYL-CYCLIC COMPOUNDS AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-28 — — WO claimed
Send feedback