SCHEMBL4175339

SCHEMBL4175339

[C]1=NCc2ccccc21

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
SCHEMBL1385568 0.76 CYP3A4 (0.40)
SCHEMBL17193188 0.73 TSHR (0.42)
SCHEMBL1376187 0.70 TSHR (0.36)
SCHEMBL153124 0.67
SCHEMBL1589885 0.67 PLAU (0.38)
SCHEMBL1162948 0.67 TSHR (0.33)
SCHEMBL1162577 0.67
SCHEMBL240193 0.65 MAOA (0.34)
SCHEMBL676633 0.65 CYP1A2 (0.41)
SCHEMBL2144679 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP claimed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP claimed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP claimed
US-11685711-B2 Carbon monoxide-releasing molecules triggered by physiological stimuli GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20200283382-A1 CARBON MONOXIDE-RELEASING MOLECULES TRIGGERED BY PHYSIOLOGICAL STIMULI GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-09-10 US disclosed
WO-2020067507-A1 PRIMARY AMINE COMPOUND- OR SECONDARY AMINE COMPOUND-ACIDIC POLYSACCHARIDE CONJUGATE, AND METHOD FOR PRODUCING SAME 生化学工業株式会社 2020-04-02 WO disclosed
WO-2019032879-A1 CARBON MONOXIDE-RELEASING MOLECULES TRIGGERED BY PHYSIOLOGICAL STIMULI GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2019-02-14 WO disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed