SCHEMBL7963165

SCHEMBL7963165

COc1c(C(N)=O)c2n(c1-c1cccnc1F)CCCC2O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PLAU P00749 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
PDE4A P27815 1/20 0.33
SQOR Q9Y6N5 1/20 0.32
ABL1 P00519 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ZAP70 P43403 2/20 0.31
SYK P43405 2/20 0.31
GSK3B P49841 1/20 0.31
ACVR1 Q04771 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
BACE1 P56817 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CDK5 Q00535 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
SCHEMBL7964887 0.91 L3MBTL1 (0.33) SCN9AHCRTR1HCRTR2PDE4AABL1
SCHEMBL8328159 0.91 DHODH (0.37) SCN9AHCRTR1HCRTR2PDE4AABL1
SCHEMBL7962621 0.90 ABL1 (0.35) SCN9AHCRTR1HCRTR2PDE4AABL1
SCHEMBL7968397 0.88 FAAH (0.33) SCN9AHCRTR1HCRTR2ZAP70SYK
SCHEMBL7953432 0.87 MKNK1 (0.37) HCRTR1HCRTR2PLAUMKNK1MKNK2
SCHEMBL7961217 0.85 FPR1 (0.35) HCRTR1PLAUMKNK1MKNK2ABL1
SCHEMBL7962948 0.83 PLAU (0.35) HCRTR1HCRTR2PLAUMKNK1MKNK2
SCHEMBL7961440 0.82 KDM4E (0.35) PLAUMKNK1MKNK2ABL1
SCHEMBL8330824 0.82 DHODH (0.43) HCRTR1HCRTR2ABL1NPC1RAB9A
SCHEMBL7965300 0.81 KCNMA1 (0.34) HCRTR1HCRTR2PDE4ASQORABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed