SCHEMBL8935840

SCHEMBL8935840

O=C1CSCC(=O)NC(COCc2ccccc2)CNCC(COCc2ccccc2)N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CDC7 O00311 2/20 0.39
MAOB P27338 2/20 0.38
TSHR P16473 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR2C P28335 1/20 0.36
BUB1 O43683 1/20 0.35
CYP3A4 P08684 3/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MAOA P21397 1/20 0.34

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
SCHEMBL8935851 0.84 LMNA (0.49) LMNABCHEACHECDC7TSHR
SCHEMBL10589424 0.76 LMNA (0.48) LMNABCHEACHECDC7TSHR
SCHEMBL19585834 0.76 LMNA (0.48) LMNABCHEACHECDC7TSHR
SCHEMBL8935795 0.75 LTA4H (0.46) LMNABCHEACHEMAOBTSHR
SCHEMBL9424891 0.74 LMNA (0.41) LMNABCHEACHECDC7TSHR
SCHEMBL4513607 0.73 CDC7 (0.46) LMNABCHEACHECDC7TSHR
SCHEMBL4513613 0.73 CDC7 (0.46) LMNABCHEACHECDC7TSHR
SCHEMBL3906686 0.72 BCHE (0.55) LMNABCHEACHETSHRSLC6A2
SCHEMBL2347159 0.72 LMNA (0.48) LMNABCHEACHECDC7TSHR
SCHEMBL1564436 0.72 LMNA (0.48) LMNABCHEACHECDC7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5531978-A CHELATE COMPOUNDS, IMAGING NYCOMED IMAGING AS (NO) 1996-07-02 US disclosed
US-5419893-A Aminopolycarboxylic acids and derivatives thereof for magnetic resonance imaging NYCOMED IMAGING AS (NO) 1995-05-30 US disclosed
US-5198208-A Chelate compounds for diagnosis by magnetic resonance imaging, ultrasound or radiation therapy NYCOMED IMAGING AS (NO) 1993-03-30 US disclosed
EP-0299795-B1 AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF NYCOMED AS (NO) 1992-03-18 EP disclosed
EP-0466200-A1 Aminocarboxylic acids and derivatives thereof NYCOMED IMAGING AS (NO) 1992-01-15 EP disclosed
WO-1989000557-A1 AMINOPOLYCARBOXYLIC ACIDS AND DERIVATIVES THEREOF COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) 1989-01-26 WO disclosed