SCHEMBL523251

SCHEMBL523251

[C]1NCC2C=CC=CC12

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
SCHEMBL5698810 0.76
SCHEMBL299778 0.61
SCHEMBL1000111 0.59
SCHEMBL37648 0.59
SCHEMBL1496265 0.54
SCHEMBL1054620 0.54
SCHEMBL7946672 0.54
SCHEMBL17847691 0.50
SCHEMBL831131 0.50 ALDH1A1 (0.32)
SCHEMBL14534464 0.50

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US claimed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US claimed
EP-2686320-B1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP claimed
EP-2686320-A1 TRICYCLIC GYRASE INHIBITORS Trius Therapeutics, Inc. (US) 2014-01-22 EP claimed
WO-2012125746-A9 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2013-10-24 WO claimed
US-20120238751-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS, INC. (US) 2012-09-20 US claimed
WO-2012125746-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2012-09-20 WO claimed
EP-1654225-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN INC (US) 2007-11-28 EP claimed
EP-1709039-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS Lanxess Deutschland GmbH (DE) 2006-10-11 EP claimed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP claimed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US claimed
WO-2005068459-A1 METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS LANXESS DEUTSCHLAND GMBH (DE) 2005-07-28 WO claimed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO claimed
EP-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed
US-20240228512-A1 ACYCLIC OXAZEPINE COMPOUNDS COMPRISING A 6-AZA MOIETY AND USES THEREOF GENENTECH, INC. (US) 2024-07-11 US disclosed
US-12030892-B2 CRBN modulators DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-07-09 US disclosed
EP-1116486-A1 MEDICAL COMPOSITION CONTAINING NITROETHENEAMINE DERIVATIVE OR SALT THEREOF AS ACTIVE CONSTITUENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-07-18 EP disclosed
EP-1056734-A2 SUBSTITUTED ALXOXYCARBONYL COMPOUNDS BAYER AG (DE) 2000-12-06 EP disclosed
WO-1999042457-A2 SUBSTITUTED ALXOXYCARBONYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-26 WO disclosed
US-5280034-A Bis-heterocyclic prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1994-01-18 US disclosed