SCHEMBL8327467

SCHEMBL8327467

N#Cc1c(C(=O)O)c2n(c1-c1cccnc1F)CCC=C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.36
CYP11B2 P19099 2/20 0.34
NAPRT Q6XQN6 1/20 0.34
PARP1 P09874 1/20 0.31
CYP11B1 P15538 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 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
SCHEMBL7963714 0.91 CYP11B2 (0.34) CYP11B2PARP1CYP11B1
SCHEMBL7952345 0.91 CYP11B2 (0.34) DHODHCYP11B2PARP1CYP11B1PDE4B
SCHEMBL7967763 0.88 HCRTR1 (0.35) CYP11B2
SCHEMBL8329854 0.88 DHODH (0.36) DHODH
SCHEMBL7967472 0.86 CYP11B2 (0.39) CYP11B2PARP1CYP11B1
SCHEMBL8328134 0.84 DHODH (0.44) DHODHNAPRT
SCHEMBL8329857 0.84 DHODH (0.38) DHODHCYP11B2NAPRTPDE4BPDE4D
SCHEMBL8325506 0.82 DHODH (0.36) DHODHNAPRT
SCHEMBL8329745 0.81 DHODH (0.38) DHODHNAPRT
SCHEMBL7960341 0.81 CYP11B2 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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