SCHEMBL13601611

SCHEMBL13601611

CN(C)CCOC(=O)CN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRM3 P20309 1/20 0.43
CHRNA4 P43681 1/20 0.43
DNM1 Q05193 1/20 0.42
ALDH1A1 P00352 4/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 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
SCHEMBL13601612 0.90 ALDH1A1 (0.40) DNM1ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL12773961 0.86 ALDH1A1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL9243638 0.86 ALDH1A1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12881668 0.86 SMN1; SMN2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12774034 0.86 L3MBTL3 (0.39) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12774078 0.86 BDKRB1 (0.38) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12881651 0.86 SMN1; SMN2 (0.37) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL13601498 0.85 DNM1 (0.49) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL12881698 0.84 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRNB2
SCHEMBL26293215 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TSHRPPARGPPARA

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
WO-2023137227-A1 MULTI-VESICULAR LIPID NANOPARTICLE TOLEROGENIC VACCINES FOR INDUCTION OF SYSTEMIC IMMUNE TOLERANCE IN VIVO KARMA BIOTECHNOLOGIES (US) 2023-07-20 WO 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