SCHEMBL7965010

SCHEMBL7965010

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 1/20 0.33
DHODH Q02127 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 3/20 0.32
PDE4B Q07343 2/20 0.32
MAPK1 P28482 1/20 0.32
JAK3 P52333 5/20 0.31
JAK2 O60674 4/20 0.31
FAAH O00519 2/20 0.31
POLB P06746 1/20 0.31
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
SCHEMBL7965374 0.90 DHODH (0.36) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL8330160 0.90 DHODH (0.38) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL7964307 0.89 FPR1 (0.35) HCRTR1DHODHALDH1A1PDE4BMAPK1
SCHEMBL7952522 0.89 ALDH1A1 (0.35) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL7962103 0.89 MEN1 (0.35) CYP2C19ALDH1A1PDE4B
SCHEMBL7961656 0.88 FAAH (0.34) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL7952972 0.87 HCRTR1 (0.34) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL7952967 0.87 DPP4 (0.35) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL7965050 0.86 CYP2C19 (0.33) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1
SCHEMBL7961792 0.83 DHODH (0.36) HCRTR1HCRTR2DHODHCYP2C19ALDH1A1

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