SCHEMBL7964496

SCHEMBL7964496

COc1c(C#N)c2n(c1-c1cccnc1F)CCC=C2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.35
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
SQOR Q9Y6N5 2/20 0.32
PARP1 P09874 1/20 0.31
CYP11B1 P15538 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
PDE5A O76074 1/20 0.31
PDE11A Q9HCR9 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
SCHEMBL7962898 0.87 ALDH1A1 (0.32) ALDH1A1MAPTRAB9AGFER
SCHEMBL7967472 0.87 CYP11B2 (0.39) CYP11B2PDE2APDE10APARP1CYP11B1
SCHEMBL7961423 0.86 CYP11B2 (0.37) CYP11B2PDE2APDE10APARP1CYP11B1
SCHEMBL7953220 0.84 CYP11B2 (0.36) CYP11B2PARP1CYP11B1ALDH1A1MAPT
SCHEMBL7960341 0.84 CYP11B2 (0.42) CYP11B2PARP1CYP11B1
SCHEMBL7967763 0.81 HCRTR1 (0.35) CYP11B2ALDH1A1
SCHEMBL8329745 0.80 DHODH (0.38) PDE2APDE10APDE5APDE11A
SCHEMBL7963168 0.80 GSK3B (0.32) PDE2APDE10APARP1PDE5APDE11A
SCHEMBL7964216 0.79 SQOR (0.35) SQORPARP1
SCHEMBL7952345 0.79 CYP11B2 (0.34) CYP11B2PARP1CYP11B1

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