SCHEMBL4556747

SCHEMBL4556747

CCOC(=O)C1(CN)CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.43
KMT2A Q03164 9/20 0.43
ALDH1A1 P00352 9/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 3/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 3/20 0.39
RECQL P46063 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL1310474 0.87 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1161503 0.82 CYP1A2 (0.42) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL17611774 0.81 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL390461 0.81 USP2 (0.42) MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL1141219 0.81 CYP1A2 (0.41) ALDH1A1LMNAPOLBOPRM1OPRD1
SCHEMBL17611768 0.80 MEN1 (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4551724 0.80 OPRM1 (0.42) MEN1KMT2AALDH1A1POLBOPRM1
SCHEMBL425037 0.79 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL2079 0.79 CYP1A2 (0.39) MEN1KMT2AALDH1A1LMNARAB9A
SCHEMBL1447297 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed