SCHEMBL7789563

SCHEMBL7789563

NCC(N)N1CCNCCNCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 3/20 0.32
SLC6A2 P23975 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CXCR4 P61073 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL2052871 0.98 MEN1 (0.34) MEN1KMT2ASLC6A4SLC6A2CYP2D6
SCHEMBL6123170 0.76 MEN1 (0.33) MEN1KMT2ASLC6A4SLC6A2CYP2D6
SCHEMBL238024 0.76 SLC6A4 (0.34) MEN1KMT2ASLC6A4SLC6A2CYP2D6
SCHEMBL27673547 0.76 MEN1 (0.33) MEN1KMT2ASLC6A4SLC6A2CYP2D6
SCHEMBL991079 0.76 SLC6A4 (0.31) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL8078410 0.75 MEN1 (0.35) MEN1KMT2ASLC6A4SLC6A2CYP2D6
SCHEMBL28069891 0.74 DPP7 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL28970037 0.73 SLC6A4 (0.32) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL2116575 0.73 SIGMAR1 (0.36) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL1264199 0.73 ALDH1A1 (0.32) MEN1KMT2ASLC6A4SLC6A2

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