SCHEMBL6507749

SCHEMBL6507749

CN(C)C(=O)C1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
BACE1 P56817 1/20 0.44
TACR1 P25103 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
STS P08842 1/20 0.43
P2RX7 Q99572 6/20 0.43
YAP1 P46937 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL2206561 0.89 MEN1 (0.47) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL21009793 0.89 MEN1 (0.46) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL2797417 0.88 MEN1 (0.46) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL2208865 0.88 OPRD1 (0.47) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL2798332 0.87 CTSL (0.49) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL606258 0.86 P2RX7 (0.45) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL17766785 0.86 OPRD1 (0.46) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL607180 0.84 MEN1 (0.46) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL551650 0.84 MEN1 (0.48) MEN1KMT2ABACE1TACR1OPRD1
SCHEMBL17609000 0.83 OPRD1 (0.47) MEN1KMT2ABACE1TACR1OPRD1

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-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed