SCHEMBL451879

SCHEMBL451879

[C]1=Cc2ccccc2[N]1

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
SCHEMBL1162953 0.65 TRPA1 (0.30)
SCHEMBL1273768 0.65 TRPA1 (0.33)
SCHEMBL9926022 0.63 TRPA1 (0.58)
SCHEMBL19035909 0.62 TRPA1 (0.32)
SCHEMBL18935284 0.61
SCHEMBL1162967 0.59 TRPA1 (0.32)
SCHEMBL612799 0.57 MAPT (0.39)
SCHEMBL9926021 0.57 TRPA1 (0.58)
SCHEMBL10434951 0.57 MAPT (0.39)
SCHEMBL5050147 0.57 TRPA1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP claimed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US claimed
EP-2172447-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP claimed
EP-0462884-B1 TRH DERIVATIVES, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-06-16 EP claimed
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
EP-2805937-A1 Cyclopropyl amide derivatives AstraZeneca AB (SE) 2014-11-26 EP disclosed
EP-2253615-B1 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2014-07-09 EP disclosed
EP-2195293-B1 CYCLOPTOPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2013-10-16 EP disclosed
EP-2460787-A1 Amide compounds and their use as PGE2 antagonists. Astellas Pharma Inc. (JP) 2012-06-06 EP disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 EP disclosed
US-6919470-B2 Aryl and heteroaryl sulfonates BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
US-20050136366-A1 Silver salt photothermographic dry imaging material and image forming method using the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2005-06-23 US disclosed
US-20030232802-A1 Aryl and heteroaryl sulfonates HEIL MARKUS (DE) 2003-12-18 US disclosed
EP-1278722-A1 ARYL AND HETEROARYL SULFONATES Bayer Aktiengesellschaft (DE) 2003-01-29 EP disclosed
US-6326369-B1 ALZHEIMER'S DISEASE TAKEDA CHEMICALS INDUSTRIES, LTD. (JP) 2001-12-04 US disclosed
WO-2001074763-A1 ARYL AND HETEROARYL SULFONATES BAYER AKTIENGESELLSCHAFT (DE) 2001-10-11 WO disclosed
EP-0462884-B1 TRH DERIVATIVES, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1993-06-16 EP disclosed