SCHEMBL7385653

SCHEMBL7385653

CCOC(=O)C1CCC(Oc2c(F)c(F)nc(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDK1 Q15118 1/20 0.37
DGAT1 O75907 1/20 0.37
LMNA P02545 1/20 0.36

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 0.89 P2RX3 (0.36) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL7414641 0.84 CA1 (0.36) MAPTALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL7488471 0.78 ALDH1A1 (0.46) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL2166026 0.77 KDM4E (0.54) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL7491259 0.77 MAPT (0.42) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL7414410 0.77 ALDH1A1 (0.34) MAPTALDH1A1KDM4ECYP2D6CYP2C9
SCHEMBL7381438 0.77 ALDH1A1 (0.36) MAPTALDH1A1TDP1KDM4ETSHR
SCHEMBL10148338 0.74 ALDH1A1 (0.44) ALDH1A1TDP1KDM4ESMN1; SMN2POLB
SCHEMBL10148340 0.74 ALDH1A1 (0.44) MAPTALDH1A1TDP1KDM4ESMN1; SMN2
SCHEMBL8891623 0.74 MAPT (0.60) MAPTALDH1A1CYP3A4CYP2D6CYP2C9

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