SCHEMBL8316307

SCHEMBL8316307

CCCCOc1nonc1O[C@@H]1CCC[C@H]1N(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CHRM1 P11229 8/20 0.37
ABCB1 P08183 2/20 0.36
CHRM2 P08172 1/20 0.36
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6913063 0.90 CA12 (0.40) CA12CA1CA2CA9CHRM1
SCHEMBL6913059 0.90 CA12 (0.40) CA12CA1CA2CA9CHRM1
SCHEMBL8317848 0.72 CHRM1 (0.56) CHRM1
SCHEMBL8317844 0.72 CHRM1 (0.56) CHRM1
SCHEMBL8505039 0.66 CHRM1 (0.58) CHRM1
SCHEMBL8505043 0.66 CHRM1 (0.58) CHRM1
SCHEMBL10426699 0.64 NFE2L2 (0.42) GPR119
SCHEMBL10426697 0.64 NFE2L2 (0.42) GPR119
SCHEMBL8320010 0.63 CA12 (0.54) CA12CA1CA2CA9ABCB1
SCHEMBL13407356 0.62 ALDH1A1 (0.34)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP disclosed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed