SCHEMBL8777314

SCHEMBL8777314

NCCN(CCN)C(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL11955740 0.87 MLYCD (0.38)
SCHEMBL11955739 0.87
Hydrochloric Acid SCHEMBL1026114 0.85
Hydrochloric Acid SCHEMBL1028628 0.85 MLYCD (0.37)
SCHEMBL28142714 0.80 HDAC6 (0.31) HDAC6
Trifluoroacetic Acid SCHEMBL7825657 0.78 ALDH1A1 (0.35)
SCHEMBL1177268 0.77 MAPT (0.35) KCNH2
SCHEMBL12502471 0.76 CTSK (0.40)
SCHEMBL25051250 0.75 KCNH2 (0.32) KCNH2
SCHEMBL2610749 0.75 MLYCD (0.48)

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
EP-0810990-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5676926-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
WO-1996026182-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed