SCHEMBL7789568

SCHEMBL7789568

NCCNN1CCNCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
ACE2 Q9BYF1 1/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31510125 1.00 GNAI3 (0.50) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL8755685 0.98 GNAI3 (0.52) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL11591608 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL22551245 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL27691013 0.81 GNAI3 (0.65) GNAI3GNAO1GNAI1HSD17B10
SCHEMBL23067998 0.80
SCHEMBL2336421 0.80 ACE2 (0.40) GNAI3GNAO1GNAI1ACE2
SCHEMBL2814300 0.75
SCHEMBL23490851 0.74 GNAI3 (0.52) GNAI3GNAO1GNAI1HSD17B10
SCHEMBL6123168 0.74 GNAI3 (0.52) GNAI3GNAO1GNAI1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876161-B1 CONTRAST MEDIA NYCOMED SALUTAR INC (US) 2001-11-21 EP disclosed
EP-0831934-B1 PREPARATION AND USE OF CONTRAST AGENTS NYCOMED SALUTAR INC (US) 2001-11-07 EP disclosed
EP-0577675-B1 CONTRAST MEDIA NYCOMED SALUTAR INC (US) 1999-12-08 EP disclosed
US-5932190-A Multinuclear complexes for X-ray imaging NYCOMED SALUTAR, INC. (US) 1999-08-03 US disclosed
US-5906994-A Preparation and use of contrast agents NYCOMED SALUTAR, INC. (US) 1999-05-25 US disclosed
EP-0901496-A1 CONTRAST AGENTS Nycomed Salutar Inc. (US) 1999-03-17 EP disclosed
US-5804161-A A METAL COMPLEX CONTAINING PHOSPHINE GROUP USED FOR DIAGNOSTIC IMAGING NYCOMED SALUTAR INC. (US) 1998-09-08 US disclosed
EP-0831934-A2 PREPARATION AND USE OF CONTRAST AGENTS Nycomed Salutar Inc. (US) 1998-04-01 EP disclosed
WO-1997043293-A1 CONTRAST AGENTS NYCOMED SALUTAR, INC. (US) 1997-11-20 WO disclosed
WO-1996040287-A2 PREPARATION AND USE OF CONTRAST AGENTS NYCOMED SALUTAR, INC. (US) 1996-12-19 WO disclosed
EP-0521977-B1 CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-09-11 EP disclosed
US-5482699-A Multinuclear complexes for x-ray imaging NYCOMED SALUTAR INC. (US) 1996-01-09 US disclosed
US-5458869-A Used as contrast enhancing agents for medical diagnosis; tungsten complex NYCOMED SALUTAR INC. (US) 1995-10-17 US disclosed
EP-0645146-A1 Contrast media NYCOMED IMAGING AS (NO) 1995-03-29 EP disclosed
EP-0577675-A1 CONTRAST MEDIA NYCOMED SALUTAR, INC. (US) 1994-01-12 EP disclosed
EP-0521977-A1 CONTRAST MEDIA. NYCOMED IMAGING AS (NO) 1993-01-13 EP disclosed