SCHEMBL11620655

SCHEMBL11620655

CC(=O)Nc1c(C)cc(Br)cc1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MOK Q9UQ07 2/20 0.44
▸ CNR1 P21554 6/20 0.44
▸ CYP2A13 Q16696 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11622293 0.92 MOK (0.47) CNR2MOKCYP2A13L3MBTL1
SCHEMBL11616547 0.88 KDM4E (0.45) MOK
SCHEMBL11620424 0.87 KDM4E (0.47) MOKL3MBTL1
SCHEMBL11617455 0.87 KDM4E (0.47) MOKL3MBTL1
SCHEMBL11619722 0.86 GAA (0.48) —
SCHEMBL11618263 0.80 KDM4E (0.49) MOKL3MBTL1
SCHEMBL11616315 0.79 KDM4E (0.51) MOKL3MBTL1
SCHEMBL14995431 0.77 MOK (0.48) CNR2MOKCNR1
SCHEMBL11619402 0.75 ALDH1A1 (0.44) LMNA
SCHEMBL11621679 0.74 CYP2A13 (0.50) LMNACYP2A13L3MBTL1

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
US-4101671-A ANTIULCEROGENICS BOEHRINGER INGELHEIM GMBH (DE) 1978-07-18 — — US disclosed
US-RE29628-E ANTIULCER, SECRETOLYTICS, ANTITUSSIVE BOEHRINGER INGELHEIM GMBH (DT) 1978-05-09 — — US disclosed
US-3950393-A ANTIULCER, ANTISECRETORY, ANTITUSSIVE AGENTS BOEHRINGER INGELHEIM GMBH (DT) 1976-04-13 — — US disclosed
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