SCHEMBL30013395

SCHEMBL30013395

CCCCOC(=O)N1CC2(CC(I)C2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ GBA2 Q9HCG7 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ EPHX2 P34913 2/20 0.35
▸ TSHR P16473 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 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
SCHEMBL30177254 0.89 SMN1; SMN2 (0.43) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL23859720 0.86 LMNA (0.49) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL30467459 0.84 LMNA (0.47) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL18639389 0.82 LMNA (0.46) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL30177247 0.81 LMNA (0.44) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL31282074 0.81 LMNA (0.44) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL30063495 0.80 LMNA (0.43) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL30711487 0.80 SMN1; SMN2 (0.51) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL31365786 0.79 LMNA (0.43) LMNAPOLBSMN1; SMN2GBA2ALDH1A1
SCHEMBL21358300 0.79 SMN1; SMN2 (0.43) LMNAPOLBSMN1; SMN2GBA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
EP-4126852-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO disclosed
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