SCHEMBL7415526

SCHEMBL7415526

CCOC(=O)C1CCC(Oc2c(F)c(Oc3cccc(C4=NCCN4C)c3)nc(Oc3cc(C#N)ccc3OCc3ccccc3)c2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.52
F10 P00742 9/20 0.52
EGFR P00533 2/20 0.38
CCR8 P51685 1/20 0.37
MAPT P10636 1/20 0.35
ACSL1 P33121 1/20 0.34
PTGER1 P34995 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
SCHEMBL7415749 0.95 F2 (0.53) F2F10EGFRCCR8PTGER1
SCHEMBL7418994 0.93 F2 (0.53) F2F10EGFRPTGER1
SCHEMBL7494292 0.91 F2 (0.43) F2F10EGFRCCR8MAPT
SCHEMBL7496461 0.91 F2 (0.47) F2F10EGFRCCR8MAPT
SCHEMBL7414321 0.91 F2 (0.48) F2F10EGFRPTGER1
SCHEMBL7414763 0.91 F2 (0.48) F2F10EGFRPTGER1
SCHEMBL7422372 0.89 F2 (0.46) F2F10EGFRCCR8PTGER1
SCHEMBL7488557 0.87 F10 (0.46) F2F10PTGER1
SCHEMBL7485658 0.87 F2 (0.42) F2F10EGFRCCR8MAPT
SCHEMBL7483083 0.87 F2 (0.44) F2F10EGFRCCR8MAPT

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