SCHEMBL7965374

SCHEMBL7965374

CC(=O)c1c(C)c(-c2cccnc2Cl)n2c1C(O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.36
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 2/20 0.35
CYP2C19 P33261 1/20 0.34
PDE4B Q07343 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMO Q99835 2/20 0.31
JAK3 P52333 3/20 0.31
JAK2 O60674 2/20 0.31
FAAH O00519 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
SCHEMBL7961792 0.91 DHODH (0.36) DHODHHCRTR1HCRTR2CYP2C19PDE4B
SCHEMBL7965010 0.90 HCRTR1 (0.33) DHODHHCRTR1HCRTR2CYP2C19PDE4B
SCHEMBL7961108 0.89 DHODH (0.35) DHODHHCRTR1HCRTR2CYP2C19ALDH1A1
SCHEMBL7962693 0.87 DHODH (0.36) DHODHHCRTR1HCRTR2
SCHEMBL7961656 0.87 FAAH (0.34) DHODHHCRTR1HCRTR2CYP2C19ALDH1A1
SCHEMBL7952967 0.86 DPP4 (0.35) DHODHHCRTR1HCRTR2CYP2C19PDE4B
SCHEMBL7952972 0.86 HCRTR1 (0.34) DHODHHCRTR1HCRTR2CYP2C19ALDH1A1
SCHEMBL8330160 0.83 DHODH (0.38) DHODHHCRTR1HCRTR2CYP2C19ALDH1A1
SCHEMBL7952522 0.82 ALDH1A1 (0.35) DHODHHCRTR1HCRTR2CYP2C19PDE4B
SCHEMBL7962103 0.81 MEN1 (0.35) CYP2C19PDE4BALDH1A1SMO

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