SCHEMBL7488669

SCHEMBL7488669

CCOC(=O)C1CCCN1c1c(F)c(F)nc(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.40
KDM4E B2RXH2 7/20 0.40
TSHR P16473 3/20 0.40
FKBP1A P62942 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29382014 0.82 ATR (0.37) NPSR1MEN1KMT2AMAPTL3MBTL1
SCHEMBL29379524 0.82 ATR (0.37) NPSR1MEN1KMT2AMAPTL3MBTL1
SCHEMBL29382341 0.79 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL29382073 0.79 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7384052 0.78 ALDH1A1 (0.32) ALDH1A1KDM4ETSHR
SCHEMBL29382076 0.77 ELANE (0.42) MAPT
SCHEMBL7496602 0.73 KCNH2 (0.34) ALDH1A1SMN1; SMN2MAPK1NPSR1TDP1
SCHEMBL4698840 0.73 SHMT2 (0.39) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL5662721 0.73 SHMT2 (0.39) ALDH1A1KDM4ETSHRFKBP1ASMN1; SMN2
SCHEMBL7417758 0.72 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929547-B1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2002-11-27 EP disclosed
US-6265404-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-07-24 US disclosed
US-6232325-B1 THROMBOSIS THERAPY BERLEX LABORATORIES, INC. 2001-05-15 US disclosed
US-6177473-B1 FACTOR X INHIBITOR BERLEX LABORATORIES, INC. 2001-01-23 US disclosed
US-6008234-A TREATING A HUMAN HAVING A DISEASE-STATE CHARACTERIZED BY THROMBOTIC ACTIVITY, INHIBITING HUMAN BLOOD COAGULATION FACTOR XA BERLEX LABORATORIES, INC. (US) 1999-12-28 US disclosed
EP-0929547-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-07-21 EP disclosed
WO-1998011094-A1 BENZAMIDINE DERIVATIVES SUBSTITUTED BY CYCLIC AMINO ACID OR CYCL IC HYDROXY ACID DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-03-19 WO disclosed