SCHEMBL45224

SCHEMBL45224

[c]1nc2c(s1)CCC=C2

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
SCHEMBL427747 0.68
Hydrochloric Acid SCHEMBL27997285 0.62 DRD2 (0.30)
Hydrochloric Acid SCHEMBL27993924 0.61
SCHEMBL14679696 0.61 APOBEC3A (0.38)
SCHEMBL157699 0.58
SCHEMBL20158190 0.58 ADORA3 (0.31)
SCHEMBL19342392 0.58 IDO1 (0.33)
SCHEMBL12520646 0.57
SCHEMBL679159 0.55
SCHEMBL13449952 0.54

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712643-B Modulators of 5-HT receptors and methods of use thereof ABBVIE (US) 2015-12-16 CN claimed
EP-2500347-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme Abbott Laboratories (US) 2012-09-19 EP claimed
EP-2142552-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-08-01 EP claimed
US-20240238304-A1 Small Molecule Degraders of DOT1L and Uses Thereof NORTHWESTERN UNIVERSITY 2024-07-18 US disclosed
US-20240228509-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2024-07-11 US disclosed
EP-3651762-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2024-07-03 EP disclosed
US-20240190824-A1 INHIBITORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2024-06-13 US disclosed
US-20240182445-A1 MODULATORS OF TREK (TWIK RELATED K+ CHANNELS) CHANNEL FUNCTION ONO PHARMACEUTICAL CO., LTD. (JP) 2024-06-06 US disclosed
CN-118063442-A Antagonists of muscarinic acetylcholine receptor M4 范德比尔特大学 2024-05-24 CN disclosed
EP-4140991-B1 INHIBITORS OF OPLOPHORUS LUCIFERASE-DERIVED BIOLUMINESCENT COMPLEXES PROMEGA CORP (US) 2024-05-15 EP disclosed
EP-3703680-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2024-05-15 EP disclosed
US-20060211739-A1 Use of selective P2X7 receptor antagonists ABBOTT LABORATORIES 2006-09-21 US disclosed
WO-2006086229-A1 THE USE OF SELECTIVE P2X7 RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2006-08-17 WO disclosed
US-20060148867-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 US disclosed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 WO disclosed
WO-2006062981-A2 ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-15 WO disclosed
US-20060128689-A1 Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof ABBVIE INC. 2006-06-15 US disclosed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 US disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed