SCHEMBL7961100

SCHEMBL7961100

COC1CCCn2c(-c3cccnc3Cl)c(Cl)c(C#N)c21

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
KCNMA1 Q12791 2/20 0.32
CD274 Q9NZQ7 1/20 0.30
USP30 Q70CQ3 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL7964338 0.90 CYP11B2 (0.35) KCNMA1CHRNB4CHRNA3
SCHEMBL7963738 0.84 KCNMA1 (0.37) DPP4KCNMA1
SCHEMBL2157391 0.82 CYP11B2 (0.40) USP30CHRNB4CHRNA3
SCHEMBL7965050 0.80 CYP2C19 (0.33) DPP4
SCHEMBL8326401 0.80 DHODH (0.37)
SCHEMBL7961198 0.80 MEN1 (0.34)
SCHEMBL7962835 0.80 ALDH1A1 (0.33) DPP4CD274
SCHEMBL7961349 0.78 KCNMA1 (0.34) DPP4KCNMA1CD274USP30CHRNB4
SCHEMBL7961452 0.76 KCNMA1 (0.38) DPP4KCNMA1
SCHEMBL7967718 0.76 KCNMA1 (0.36) 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 2 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
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