SCHEMBL7979173

SCHEMBL7979173

CC1CCCN(CCCc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
SIGMAR1 Q99720 2/20 0.60
HRH3 Q9Y5N1 1/20 0.60
KDM4E B2RXH2 2/20 0.57
KMT2A Q03164 1/20 0.57
LTA4H P09960 1/20 0.56

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
SCHEMBL19850993 1.00 L3MBTL1 (0.62) L3MBTL1SIGMAR1HRH3KDM4EKMT2A
SCHEMBL11205656 0.91 ACHE (0.66) SIGMAR1HRH3
SCHEMBL12929 0.91 ACHE (0.66) SIGMAR1HRH3
SCHEMBL12725 0.91 ACHE (0.66) SIGMAR1HRH3
SCHEMBL491602 0.90 HRH3 (0.68) HRH3KDM4E
SCHEMBL19851112 0.82 CHRNB4 (0.58) KDM4EKMT2A
SCHEMBL19850973 0.82 CHRNB4 (0.58) KDM4EKMT2A
SCHEMBL10523377 0.82 KDM4E (0.61) SIGMAR1KDM4EKMT2ALTA4H
SCHEMBL7289138 0.82 KDM4E (0.57) SIGMAR1KDM4EKMT2ALTA4H
SCHEMBL10523381 0.82 ALDH1A1 (0.68) SIGMAR1KDM4EKMT2ALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001092226-A1 HETEROCYCLIC ANALGESIC COMPOUNDS AND METHOD OF USE THEREOF SEPRACOR, INC. (US) 2001-12-06 WO disclosed