SCHEMBL7965681

SCHEMBL7965681

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
BACE1 P56817 1/20 0.33
PER2 O15055 2/20 0.32
CRY2 Q49AN0 1/20 0.32
PDE4B Q07343 4/20 0.32
HCRTR1 O43613 2/20 0.31
PDE4D Q08499 2/20 0.31
ABL1 P00519 2/20 0.31
SCN9A Q15858 1/20 0.31
DHODH Q02127 2/20 0.31
SLC18A3 Q16572 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGDR Q13258 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
SCHEMBL8330797 0.92 DHODH (0.36) FPR1FPR2BACE1PER2CRY2
SCHEMBL7961641 0.91 BACE1 (0.34) FPR1FPR2BACE1PER2CRY2
SCHEMBL7961758 0.91 FPR1 (0.35) FPR1FPR2BACE1PDE4BHCRTR1
SCHEMBL7965050 0.90 CYP2C19 (0.33) PER2PDE4BHCRTR1DHODHTBXA2R
SCHEMBL7964307 0.87 FPR1 (0.35) FPR1FPR2PDE4BHCRTR1PDE4D
SCHEMBL8326401 0.82 DHODH (0.37) PER2HCRTR1DHODH
SCHEMBL7961198 0.81 MEN1 (0.34) PDE4B
SCHEMBL7962835 0.81 ALDH1A1 (0.33) PER2HCRTR1SCN9ADHODH
SCHEMBL7964338 0.81 CYP11B2 (0.35) BACE1
SCHEMBL7964731 0.80 FPR1 (0.35) FPR1FPR2PDE4BPDE4DABL1

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 6 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
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed