SCHEMBL1991600

SCHEMBL1991600

O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(Cl)cn1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL1991788 1.00
SCHEMBL29537381 1.00
SCHEMBL1991603 1.00
Hydrochloric Acid SCHEMBL29537766 0.99
Hydrochloric Acid SCHEMBL1991832 0.99
Hydrochloric Acid SCHEMBL1990270 0.99
Hydrochloric Acid SCHEMBL1990272 0.99
SCHEMBL503075 0.94
SCHEMBL29537413 0.94
Hydrochloric Acid SCHEMBL29537713 0.93

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US claimed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP claimed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US claimed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US claimed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP claimed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP claimed
CN-102686563-A Substituted benzamide derivatives HOFFMANN LA ROCHE 2012-09-19 CN claimed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO claimed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US claimed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 US disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
CN-102686563-A Substituted benzamide derivatives HOFFMANN LA ROCHE 2012-09-19 CN disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed