SCHEMBL7952967

SCHEMBL7952967

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
KCNMA1 Q12791 3/20 0.34
PDE4B Q07343 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ELANE P08246 5/20 0.31
KDM4E B2RXH2 2/20 0.31
RECQL P46063 1/20 0.31
ALDH1A1 P00352 2/20 0.31
UCHL1 P09936 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
DHODH Q02127 1/20 0.31
CYP2C19 P33261 1/20 0.31
BCL6 P41182 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
SCHEMBL8329371 0.91 DPP4 (0.35) DPP4KCNMA1PDE4BHCRTR1HCRTR2
SCHEMBL7964348 0.90 KDM4E (0.35) DPP4KCNMA1PDE4BELANEKDM4E
SCHEMBL7963885 0.90 KCNMA1 (0.36) DPP4KCNMA1HCRTR1HCRTR2KDM4E
SCHEMBL7963132 0.88 PDE4B (0.34) KCNMA1PDE4BHCRTR1HCRTR2ELANE
SCHEMBL7965010 0.87 HCRTR1 (0.33) PDE4BHCRTR1HCRTR2ALDH1A1DHODH
SCHEMBL7961452 0.87 KCNMA1 (0.38) DPP4KCNMA1KDM4ERECQLALDH1A1
SCHEMBL7965374 0.86 DHODH (0.36) PDE4BHCRTR1HCRTR2ALDH1A1DHODH
SCHEMBL7952972 0.84 HCRTR1 (0.34) HCRTR1HCRTR2ALDH1A1DHODHCYP2C19
SCHEMBL7967718 0.84 KCNMA1 (0.36) DPP4KCNMA1HCRTR1HCRTR2RAB9A
SCHEMBL7963738 0.83 KCNMA1 (0.37) DPP4KCNMA1

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