SCHEMBL750549

SCHEMBL750549

O=C(O)N1CCCC1c1nc(Br)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.35
HCRTR2 O43614 10/20 0.35
RIPK1 Q13546 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SCD O00767 1/20 0.33
SCD5 Q86SK9 1/20 0.32
PRCP P42785 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
SCHEMBL28088731 1.00 HCRTR1 (0.35) HCRTR1HCRTR2RIPK1ALDH1A1SCD
SCHEMBL13505827 0.83 RIPK1 (0.37) HCRTR1HCRTR2RIPK1ALDH1A1SCD
SCHEMBL14857164 0.83 RIPK1 (0.34) HCRTR1HCRTR2RIPK1SCDPRCP
SCHEMBL203526 0.82 ALDH1A1 (0.44) ALDH1A1
SCHEMBL47020 0.82 ALDH1A1 (0.44) ALDH1A1
SCHEMBL2708976 0.82 ALDH1A1 (0.44) ALDH1A1
SCHEMBL3781488 0.81 HCRTR1 (0.39) HCRTR1HCRTR2SCDSCD5
SCHEMBL27855003 0.81 HCRTR1 (0.39) HCRTR1HCRTR2SCDSCD5
SCHEMBL2454437 0.80 HCRTR1 (0.38) HCRTR1HCRTR2SCDSCD5PRCP
SCHEMBL29136395 0.80 RIPK1 (0.40) HCRTR1HCRTR2RIPK1PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113365995-A Immunomodulator, composition and method thereof 贝达药业股份有限公司 2021-09-07 CN disclosed
CN-103354808-B Antiviral compound ABBVIE 公司 2016-08-10 CN disclosed
EP-2678334-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2014-01-01 EP disclosed
EP-2651885-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
EP-2651924-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-10-23 EP disclosed
EP-2640719-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-09-25 EP disclosed
EP-2627651-A1 ANTI-VIRAL COMPOUNDS Abbvie Inc. (US) 2013-08-21 EP disclosed
WO-2012116257-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2012-08-30 WO disclosed
WO-2012083164-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012083170-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-06-21 WO disclosed
WO-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed
WO-2012051361-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2012-04-19 WO disclosed
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed