SCHEMBL4063891

SCHEMBL4063891

O=CC(Br)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1037995 0.77
SCHEMBL1695010 0.75 FDPS (0.36) MAPTLMNA
SCHEMBL5077735 0.71 MAPT (0.39) MAPTCA12CA7CA14ALDH1A1
SCHEMBL1750437 0.71 MAPT (0.39) MAPTCA12CA7CA14ALDH1A1
SCHEMBL5792071 0.71 MAPT (0.39) MAPTCA12CA7CA14ALDH1A1
SCHEMBL36573 0.71 MAPT (0.39) MAPTCA12CA7CA14ALDH1A1
SCHEMBL1913173 0.71 MAPT (0.37) MAPTCA12CA7CA14ALDH1A1
Hydrochloric Acid SCHEMBL20899797 0.70 MAPT (0.38) MAPTCA12CA7CA14ALDH1A1
SCHEMBL1081819 0.70 MAPT (0.38) MAPTCA12CA7CA14ALDH1A1
SCHEMBL21056068 0.68 MAPT (0.37) MAPTCA12CA7CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311792-A Phenylether derivative, preparation method thereof, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2019-02-05 CN disclosed
CN-107417564-A Phenylate analog derivative and its preparation method and pharmaceutical composition and purposes 中国医学科学院药物研究所 2017-12-01 CN disclosed
EP-3083586-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091426-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
CN-104650005-A Pinaverium bromide synthesis method BEIJING WINSUNNY PHARMACEUTICAL CO LTD 2015-05-27 CN disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
CN-1897948-A Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2007-01-17 CN disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A9 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-05-18 WO disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 WO disclosed
CN-1085546-A Aminediol protease inhibitors SQUIBB & SONS INC (US) 1994-04-20 CN disclosed