SCHEMBL7965300

SCHEMBL7965300

COc1c(C#N)c2n(c1-c1cccnc1F)CCCC2O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
USP30 Q70CQ3 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SQOR Q9Y6N5 2/20 0.31
ABL1 P00519 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM3 P20309 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
SCHEMBL7961349 0.88 KCNMA1 (0.34) KCNMA1CHRNB4CHRNA3USP30CD274
SCHEMBL7961767 0.87 KCNMA1 (0.38) KCNMA1CYP11B2PDE4APDE4BPDE4D
SCHEMBL7953127 0.87 KCNMA1 (0.36) KCNMA1PDE2APDE10ACYP11B2PDE4B
SCHEMBL7962136 0.85 KCNMA1 (0.35) KCNMA1CYP11B2ABL1
SCHEMBL7962392 0.85 CYP11B2 (0.37) KCNMA1CYP11B2PDE4BPDE4DABL1
SCHEMBL7962855 0.83 HCRTR1 (0.37) KCNMA1HCRTR1HCRTR2USP30PDE4B
SCHEMBL8328159 0.82 DHODH (0.37) HCRTR1HCRTR2PDE4AABL1
SCHEMBL7964887 0.82 L3MBTL1 (0.33) CHRNB4CHRNA3HCRTR1HCRTR2PDE4A
SCHEMBL7962621 0.81 ABL1 (0.35) HCRTR1HCRTR2PDE4AABL1
SCHEMBL7963132 0.81 PDE4B (0.34) KCNMA1HCRTR1HCRTR2CYP11B2PDE4B

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