SCHEMBL25217622

SCHEMBL25217622

CS(=O)(=O)OC[C@@H]1CN(C(=O)O)CC[C@H]1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
NPC1 O15118 2/20 0.36
CCR5 P51681 1/20 0.36
ATM Q13315 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 2/20 0.36
MAOB P27338 2/20 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
SCHEMBL3059967 1.00 L3MBTL1 (0.41) L3MBTL1RAB9AMAPTHCRTR2ALDH1A1
SCHEMBL29584483 0.88 MEN1 (0.43) RAB9AMAPTHCRTR2ALDH1A1GAA
SCHEMBL18586063 0.88 MEN1 (0.43) RAB9AMAPTHCRTR2ALDH1A1GAA
SCHEMBL18345004 0.86 SCN9A (0.49) SCN9A
SCHEMBL6694621 0.86 SCN9A (0.49) SCN9A
SCHEMBL5459736 0.86 SCN9A (0.49) SCN9A
SCHEMBL4760197 0.86 SCN9A (0.49) SCN9A
SCHEMBL4436548 0.86 SCN9A (0.49) SCN9A
SCHEMBL6690206 0.85 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1KDM1A
SCHEMBL6690204 0.85 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1KDM1A

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-2023102477-A1 PERIPHERALLY AND LUMINALLY-RESTRICTED INHIBITORS OF THE SEROTONIN TRANSPORTER AS TREATMENTS FOR DISORDERS OF GASTROINTESTINAL MOTILITY THE JOHNS HOPKINS UNIVERSITY (US) 2023-06-08 WO disclosed