SCHEMBL4658596

SCHEMBL4658596

CC(C)(C)OC(=O)ON1CCN(C2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
RECQL P46063 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
PREP P48147 1/20 0.31
PLAT P00750 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL4046200 0.90 L3MBTL3 (0.33) CHRM2CHRM1CHRM3L3MBTL3L3MBTL1
SCHEMBL27694570 0.86 L3MBTL3 (0.34) CHRM2CHRM1CHRM3L3MBTL3L3MBTL1
SCHEMBL4068290 0.84 L3MBTL3 (0.36) CHRM2CHRM1CHRM3L3MBTL3L3MBTL1
SCHEMBL16673574 0.84 SIGMAR1 (0.38) CHRM2CHRM1CHRM3L3MBTL3L3MBTL1
SCHEMBL4594886 0.83 GNAI3 (0.38) L3MBTL3L3MBTL1
SCHEMBL106664 0.82 USP2 (0.34) HPGDSIGMAR1CHRNB2CHRNA3CHRNA4
SCHEMBL27638301 0.79 L3MBTL3 (0.32) CHRM2CHRM1CHRM3L3MBTL3L3MBTL1
SCHEMBL4067285 0.79 CHRM2 (0.36) CHRM2CHRM1CHRM3HRH3PREP
SCHEMBL118661 0.78 HPGD (0.48) L3MBTL1HPGDRECQLIRAK4
SCHEMBL4540435 0.78 SMN1; SMN2 (0.33) HRH3

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-1917256-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2008-05-07 EP disclosed
WO-2007020261-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 WO disclosed