SCHEMBL7002161

SCHEMBL7002161

O=CCCCCc1c[nH]cn1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.32
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL29956789 0.98 TSHR (0.33) HIF1ATSHR
SCHEMBL22533668 0.94 HIF1A (0.33) HIF1A
SCHEMBL1117288 0.86
SCHEMBL7961089 0.85
Histamine SCHEMBL1021058 0.84 HIF1A (0.33) HIF1ATSHR
SCHEMBL4379723 0.80 TDP1 (0.40) TSHR
SCHEMBL5322896 0.80 HRH4 (0.32)
SCHEMBL2000950 0.79 ADH1B (0.35)
SCHEMBL1260121 0.76
SCHEMBL7988201 0.76 FFAR1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1313713-A2 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-28 EP disclosed
WO-2002012198-A2 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-14 WO disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed