SCHEMBL7414641

SCHEMBL7414641

CCOC(=O)C1CC(Oc2c(F)c(F)nc(F)c2F)CC1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.36
CA2 P00918 10/20 0.36
CA9 Q16790 8/20 0.36
CA12 O43570 7/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL7380181 0.90 P2RX3 (0.36) ALDH1A1CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL7385653 0.84 MAPT (0.39) ALDH1A1CYP2D6CYP2C9CYP2C19MAPT
SCHEMBL7414410 0.81 ALDH1A1 (0.34) CA1CA2CA9CA12ALDH1A1
SCHEMBL7381438 0.81 ALDH1A1 (0.36) CA1CA2CA9CA12ALDH1A1
SCHEMBL7484832 0.70 TAS1R3 (0.34) ALDH1A1CYP2D6CYP2C19MAPTPKM
SCHEMBL7486849 0.70 MAPT (0.32) ALDH1A1CYP2D6CYP2C19MAPTPKM
SCHEMBL7496506 0.70 MEN1 (0.33) CA1CA2CA9CA12CYP2D6
SCHEMBL8914013 0.69 ALDH1A1 (0.48) CA1CA2CA9CA12ALDH1A1
SCHEMBL2705851 0.69 ALDH1A1 (0.48) CA1CA2CA9CA12ALDH1A1
SCHEMBL12943060 0.69 ALDH1A1 (0.48) CA1CA2CA9CA12ALDH1A1

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