SCHEMBL13601361

SCHEMBL13601361

CC1CCN(CC(=O)OCC(=O)N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 6/20 0.38
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13601437 0.85 POLB (0.48) MAPTSMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL12773981 0.84 GNAI3 (0.36) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL2663390 0.82 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL5236867 0.81 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL13601613 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL12774077 0.80 ACHE (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13601372 0.78 CHRM2 (0.41) MAPTSMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL12774035 0.77 L3MBTL3 (0.36) MAPTALDH1A1KDM4ETP53
SCHEMBL13601375 0.76 NPC1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL13601367 0.76 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1HTTRAB9A

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
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed