SCHEMBL7961641

SCHEMBL7961641

COC1CCCn2c(-c3cccnc3F)c(Cl)c(C(N)=O)c21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
PLAU P00749 1/20 0.33
SCN9A Q15858 1/20 0.32
PER2 O15055 2/20 0.32
CRY2 Q49AN0 1/20 0.32
HCRTR1 O43613 2/20 0.31
PDE4B Q07343 2/20 0.31
ABL1 P00519 1/20 0.31
PDE4D Q08499 1/20 0.31
FFAR4 Q5NUL3 2/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
SQOR Q9Y6N5 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL7965681 0.91 FPR1 (0.33) BACE1FPR1FPR2SCN9APER2
SCHEMBL8330797 0.91 DHODH (0.36) BACE1FPR1FPR2SCN9APER2
SCHEMBL7961758 0.90 FPR1 (0.35) BACE1FPR1FPR2HCRTR1PDE4B
SCHEMBL7962835 0.90 ALDH1A1 (0.33) SCN9APER2HCRTR1HPGDDHODH
SCHEMBL7961217 0.86 FPR1 (0.35) FPR1FPR2PLAUHCRTR1PDE4B
SCHEMBL8326401 0.81 DHODH (0.37) PER2HCRTR1DHODH
SCHEMBL7965050 0.81 CYP2C19 (0.33) PER2HCRTR1PDE4BDHODH
SCHEMBL7961198 0.80 MEN1 (0.34) PDE4BHPGD
SCHEMBL7964338 0.80 CYP11B2 (0.35) BACE1
SCHEMBL2157354 0.80 MKNK1 (0.39) MKNK1MKNK2

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