SCHEMBL7963168

SCHEMBL7963168

COc1c(C(C)=O)c2n(c1-c1cccnc1F)CCC=C2

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.32
DHODH Q02127 1/20 0.32
PARP1 P09874 1/20 0.31
PDE4A P27815 1/20 0.30
DRD2 P14416 1/20 0.30
PDE2A O00408 1/20 0.30
PDE5A O76074 1/20 0.30
PDE11A Q9HCR9 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL8329745 0.92 DHODH (0.38) GSK3BDHODHPDE4APDE2APDE5A
SCHEMBL7967142 0.91 IDO1 (0.34) GSK3BDHODHPDE4A
SCHEMBL7964216 0.91 SQOR (0.35) GSK3BDHODHPARP1
SCHEMBL7964306 0.88 MAPT (0.32) DHODHDRD2
SCHEMBL7967747 0.86 DHODH (0.38) DHODHPARP1
SCHEMBL7962199 0.85 DHODH (0.33) DHODHPARP1
SCHEMBL7962686 0.83 DHODH (0.32) DHODHPARP1
SCHEMBL7952345 0.82 CYP11B2 (0.34) DHODHPARP1
SCHEMBL7965052 0.81 DHODH (0.36) GSK3BDHODH
SCHEMBL7967474 0.80 HSP90AA1 (0.35) GSK3BDHODH

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