SCHEMBL7518962

SCHEMBL7518962

O=CNC(Cl)C(OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 11/20 0.56
SLC1A2 P43004 10/20 0.56
SLC1A3 P43003 8/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
EPHX1 P07099 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.39
PTGS2 P35354 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7440229 0.82 SLC1A1 (0.65) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL1953602 0.80 SLC1A3 (0.76) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL418322 0.80 SLC1A3 (0.76) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL852209 0.80 SLC1A3 (0.76) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL2269230 0.80 SLC1A1 (0.53) SLC1A1SLC1A2SLC1A3MEN1KMT2A
Water SCHEMBL30419716 0.78 SLC1A3 (0.73) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL4110139 0.76 SLC1A2 (0.50) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL2648222 0.76 SLC1A1 (0.49) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL10721619 0.74 SLC1A1 (0.50) SLC1A1SLC1A2SLC1A3MEN1KMT2A
SCHEMBL431115 0.74 KMT2A (0.46) SLC1A1SLC1A2SLC1A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739881-B1 Piperidine derivatives KOWA CO (JP) 2002-03-06 EP disclosed
US-5714501-A ANTIALLERGENIC/ANTIASTHMATIC AGENTS KOWA CO., LTD. (JP) 1998-02-03 US disclosed
EP-0739881-A2 Piperidine derivatives KOWA CO. LTD. (JP) 1996-10-30 EP disclosed