SCHEMBL13601418

SCHEMBL13601418

CC1CCN(CCC(=O)OCCCN(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
HRH3 Q9Y5N1 8/20 0.42
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DNM1 Q05193 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13601415 0.92 POLB (0.48) POLBHTTHRH3KMT2ANPC1
SCHEMBL13713306 0.88 SMN1; SMN2 (0.43) POLBHTTHRH3SMN1; SMN2DNM1
SCHEMBL12881387 0.86 GNAI3 (0.40) SMN1; SMN2DNM1ALDH1A1LMNA
SCHEMBL13601375 0.86 NPC1 (0.39) POLBHRH3KMT2ANPC1SMN1; SMN2
SCHEMBL13601405 0.84 POLB (0.49) POLBHTTHRH3KMT2AKDM4E
SCHEMBL13601506 0.84 DNM1 (0.43) HRH3KMT2ASMN1; SMN2DNM1ALDH1A1
SCHEMBL13601633 0.83 NPC1 (0.55) POLBHRH3KMT2ANPC1SMN1; SMN2
SCHEMBL12774112 0.83 TP53 (0.41) HRH3SMN1; SMN2DNM1ALDH1A1
SCHEMBL13601407 0.82 NAAA (0.47) POLBHTTHRH3KMT2A
SCHEMBL13601455 0.81 POLB (0.51) POLBHTTHRH3KMT2ASMN1; SMN2

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