SCHEMBL15329685

SCHEMBL15329685

CC1CCC(NC(=O)CN2CCCCC2C=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SIGMAR1 Q99720 4/20 0.41
GAA P10253 1/20 0.41
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL29952356 0.93 SIGMAR1 (0.45) EPHX1SIGMAR1GAACHRM5CHRM3
SCHEMBL29953192 0.90 SIGMAR1 (0.49) EPHX1SIGMAR1GAACHRM5CHRM3
SCHEMBL29952105 0.88 SIGMAR1 (0.51) EPHX1SIGMAR1GAACHRM5CHRM3
SCHEMBL29957315 0.88 SIGMAR1 (0.51) EPHX1SIGMAR1GAACHRM5CHRM3
SCHEMBL2560386 0.83 SIGMAR1 (0.40) EPHX1SIGMAR1GAACHRM5CHRM3
SCHEMBL2559088 0.81 USP2 (0.46) EPHX1SMN1; SMN2L3MBTL1MAPK1KMT2A
SCHEMBL15331638 0.79 POLB (0.37) GAASMN1; SMN2L3MBTL1HPGDKMT2A
SCHEMBL29957655 0.78 SMN1; SMN2 (0.46) EPHX1SIGMAR1GAACHRM3SMN1; SMN2
SCHEMBL14174994 0.77 SIGMAR1 (0.59) EPHX1NPC1RAB9ASIGMAR1CHRM5
SCHEMBL15332732 0.77 CHRM5 (0.44) NPC1SIGMAR1GAACHRM5CHRM3

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 5 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