SCHEMBL22368480

SCHEMBL22368480

OC1NC[C@@H]2C[C@@H](O)CN(Cc3ccccc3)[C@H]12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ FUCA1 P04066 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL19990743 0.73 MAPT (0.42) MAPTFUCA1ALDH1A1KDM4EL3MBTL1
SCHEMBL8044343 0.72 CD274 (0.50) MAPTFUCA1KDM4EL3MBTL1GBA1
SCHEMBL20745515 0.72 CD274 (0.50) MAPTFUCA1KDM4EL3MBTL1GBA1
SCHEMBL5067829 0.72 CD274 (0.50) MAPTFUCA1KDM4EL3MBTL1GBA1
SCHEMBL6545054 0.72 CD274 (0.50) MAPTFUCA1KDM4EL3MBTL1GBA1
SCHEMBL9218563 0.72 CD274 (0.50) MAPTFUCA1KDM4EL3MBTL1GBA1
SCHEMBL28513094 0.71 MAPT (0.73) MAPTFUCA1ALDH1A1KDM4EL3MBTL1
SCHEMBL28498890 0.71 MAPT (0.73) MAPTFUCA1ALDH1A1KDM4EL3MBTL1
SCHEMBL8936135 0.71 MAPT (0.73) MAPTFUCA1ALDH1A1KDM4EL3MBTL1
SCHEMBL4130506 0.71 MAPT (0.73) MAPTFUCA1ALDH1A1KDM4EL3MBTL1

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
EP-3698796-A1 PHARMACEUTICAL COMBINATION OF A TRICYCLIC BETA-LACTAMASE INHIBITOR WITH SPECIFIC BETA-LACTAM ANTIBIOTICS Novartis AG (CH) 2020-08-26 — — EP disclosed
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