SCHEMBL2561533

SCHEMBL2561533

CNC(=O)C1CCCN1c1ccc(C=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.39
CYP2C8 P10632 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
FFAR1 O14842 2/20 0.38
SYK P43405 1/20 0.38
CYP2D6 P10635 2/20 0.38
BACE1 P56817 2/20 0.37
EGLN2 Q96KS0 1/20 0.37
CYP3A4 P08684 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK3 Q00526 1/20 0.35
ENPP2 Q13822 1/20 0.35
PORCN Q9H237 2/20 0.35

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
SCHEMBL15330016 0.96 SYK (0.41) NPC1PKMRAB9ACNR2CNR1
SCHEMBL2558897 0.85 NPC1 (0.43) NPC1PKMRAB9A
SCHEMBL2556766 0.82 SYK (0.40) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2553075 0.81 NPC1 (0.42) NPC1PKMRAB9A
SCHEMBL3548134 0.78 SYK (0.47) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL13723608 0.78 SYK (0.47) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2560384 0.78 NPC1 (0.49) NPC1PKMRAB9A
SCHEMBL2551824 0.76 ALDH1A3 (0.52) CYP2D6EGLN2CYP3A4AADAT
SCHEMBL13724339 0.74 SYK (0.51) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL17774943 0.73 SYK (0.48) CNR2CNR1CYP2C8CYP2C19CYP2C9

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed