SCHEMBL4717872

SCHEMBL4717872

CC(C)(C)OC(=O)ON1CCC(N2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
RECQL P46063 1/20 0.51
ACHE P22303 1/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 6/20 0.51
CHRM4 P08173 1/20 0.49
KMT2A Q03164 1/20 0.47

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
SCHEMBL27638264 0.90 SMN1; SMN2 (0.54) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL3779080 0.84 CHRM4 (0.56) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL7338535 0.83 SMN1; SMN2 (0.55) SMN1; SMN2RECQLACHEKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3966170 0.83 CHRM4 (0.55) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL31333511 0.81 ALDH1A1 (0.50) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL3570582 0.81 ACHE (0.61) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL31334166 0.80 CHRM4 (0.49) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL642728 0.80 JAK2 (0.54) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL642727 0.80 JAK2 (0.54) SMN1; SMN2RECQLACHEKDM4EALDH1A1
SCHEMBL23689558 0.79 KMT2A (0.61) ACHEKDM4EALDH1A1CHRM4KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
EP-1558600-B1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2008-05-07 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed