SCHEMBL6960338

SCHEMBL6960338

Cc1ccc(C2CCN(OC(=O)O)CC2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A3 Q01959 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL6953373 0.87 MEN1 (0.41) MEN1KMT2AHTTSLC6A3SLC6A2
SCHEMBL6954026 0.87 SLC18A3 (0.51) MEN1KMT2AHTTNPC1TP53
SCHEMBL6952186 0.86 SLC6A3 (0.40) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL6959529 0.86 KMT2A (0.40) MEN1KMT2AHTTSLC6A3SLC6A2
SCHEMBL6955374 0.84 MEN1 (0.41) MEN1KMT2AHTT
SCHEMBL6949144 0.83 GPR119 (0.39) MEN1KMT2AHTTNPC1TP53
SCHEMBL7076465 0.80 HRH3 (0.45) MEN1KMT2A
SCHEMBL7084816 0.79 CA12 (0.46) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL6952629 0.79 MEN1 (0.35) MEN1KMT2AHTTTSHRSMN1; SMN2
SCHEMBL6947646 0.79 MEN1 (0.42) MEN1KMT2AHTTNPC1RAB9A

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed