SCHEMBL7965403

SCHEMBL7965403

CC(=O)c1c(C(F)(F)F)c(-c2cccnc2F)n2c1C(O)CCC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.34
ABL1 P00519 2/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
SMO Q99835 1/20 0.33
HCRTR2 O43614 1/20 0.32
SCN9A Q15858 1/20 0.32
WNT1 P04628 1/20 0.32
DYRK1A Q13627 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL8327360 0.91 DHODH (0.35) HCRTR1ABL1FPR1FPR2SMO
SCHEMBL7962948 0.90 PLAU (0.35) HCRTR1ABL1FPR1FPR2SMO
SCHEMBL7965416 0.89 ABL1 (0.37) HCRTR1ABL1FPR1FPR2SMO
SCHEMBL7952972 0.89 HCRTR1 (0.34) HCRTR1HCRTR2SCN9A
SCHEMBL7962693 0.87 DHODH (0.36) HCRTR1ABL1FPR1FPR2HCRTR2
SCHEMBL7964307 0.86 FPR1 (0.35) HCRTR1ABL1FPR1FPR2WNT1
SCHEMBL7963132 0.85 PDE4B (0.34) HCRTR1ABL1FPR1FPR2HCRTR2
SCHEMBL7964887 0.84 L3MBTL1 (0.33) HCRTR1ABL1HCRTR2SCN9ADYRK1A
SCHEMBL7962136 0.83 KCNMA1 (0.35) ABL1
SCHEMBL7964875 0.81 CYP11B2 (0.37) HCRTR1ABL1HCRTR2

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