SCHEMBL3948569

SCHEMBL3948569

O=[C]CCCC1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 0.39
HRH3 Q9Y5N1 2/20 0.39
FAAH O00519 1/20 0.36
GNAO1 P09471 3/20 0.35
SLC6A4 P31645 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
GNAI3 P08754 2/20 0.34
GNAI1 P63096 2/20 0.34
NAMPT P43490 1/20 0.34
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32

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
SCHEMBL3957409 0.86 HRH3 (0.35) ITGB3ITGA2BHRH3FAAHGNAO1
SCHEMBL8944630 0.84
SCHEMBL7357875 0.82 SLC6A1 (0.41) ITGB3ITGA2BHRH3SLC6A1GABRA5
SCHEMBL2076620 0.79 CYP1A2 (0.46)
SCHEMBL8944658 0.79
SCHEMBL16978763 0.78 HRH3 (0.39) ITGB3ITGA2BHRH3FAAHGNAO1
SCHEMBL15389155 0.78 HRH3 (0.39) ITGB3ITGA2BHRH3FAAHGNAO1
SCHEMBL237382 0.78 ITGB3 (0.47) ITGB3ITGA2BHRH3FAAHGNAO1
SCHEMBL331124 0.78 HRH3 (0.47) ITGB3ITGA2BHRH3FAAHGNAO1
SCHEMBL99022 0.77 CYP1A2 (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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
EP-0693067-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-01-12 EP disclosed
EP-0664792-B1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-01-05 EP disclosed
EP-0478362-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1999-06-09 EP disclosed
EP-0512829-B1 Fibrinogen receptor antagonists MERCK & CO INC (US) 1998-03-04 EP disclosed
US-5721253-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-02-24 US disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
EP-0664792-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-09-25 EP disclosed
US-5559127-A ANTICOAGULANTS MERCK & CO., INC. (US) 1996-09-24 US disclosed
EP-0693067-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-01-24 EP disclosed
US-5321034-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-06-14 US disclosed
WO-1994008962-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-28 WO disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5272158-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-12-21 US disclosed
US-5264420-A Anticoagulants MERCK & CO., INC. (US) 1993-11-23 US disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0540334-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1993-05-05 EP disclosed
EP-0512829-A1 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0479481-A2 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-08 EP disclosed
EP-0478362-A2 Fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed