SCHEMBL2364532

SCHEMBL2364532

CS(=O)(=O)OCc1ccccc1C1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RBP4 P02753 3/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HCRTR2 O43614 1/20 0.38
TACR1 P25103 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM1 P11229 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
SCHEMBL19925766 0.85 MEN1 (0.40) MEN1KMT2A
SCHEMBL2334032 0.85 STS (0.48)
SCHEMBL28059306 0.81 HCRTR2 (0.36) MEN1KMT2ARBP4SLC6A2SLC6A4
SCHEMBL2099816 0.78 RBP4 (0.47) MEN1KMT2ARBP4
SCHEMBL19212250 0.76 GRM5 (0.44) MEN1KMT2ATACR1CHRM1
SCHEMBL22524566 0.76 STS (0.49)
SCHEMBL4680013 0.76 RBP4 (0.45) MEN1KMT2ARBP4
SCHEMBL14813739 0.75 PTGDR2 (0.47) MEN1KMT2ARBP4SLC6A2SLC6A4
SCHEMBL1662407 0.75 MEN1 (0.46) MEN1KMT2ARBP4CHRM4CHRM1
SCHEMBL1558279 0.75 HTR1A (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3506900-A1 COMPOUND FOR USE IN THE TREATMENT OF NEUROGENIC ORTHOSTATIC HYPOTENSION Theravance Biopharma R&D IP, LLC (US) 2019-07-10 EP disclosed
WO-2018044667-A1 COMPOUND FOR USE IN THE TREATMENT OF NEUROGENIC ORTHOSTATIC HYPOTENSION THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-03-08 WO disclosed
EP-2358675-B1 4-[2-(2-Fluorophenoxymethyl)phenyl]piperidine compounds THERAVANCE INC (US) 2012-10-03 EP disclosed
EP-2358676-A1 Crystalline form of a 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compound Theravance, Inc. (US) 2011-08-24 EP disclosed
EP-2358674-A1 Process for preparing 4-[2-(2-fluorophenoxymethyl)phenyl¨]iperidine compounds Theravance, Inc. (US) 2011-08-24 EP disclosed
WO-2010056939-A1 CRYSTALLINE FORM OF A 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUND THERAVANCE, INC. (US) 2010-05-20 WO disclosed
WO-2010056938-A1 PROCESS FOR PREPARING 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUNDS THERAVANCE, INC. (US) 2010-05-20 WO disclosed