SCHEMBL14280354

SCHEMBL14280354

NCc1ccc(N2C(=O)C3(CCNCC3)C2c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
CACNA1H O95180 10/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
NPC1L1 Q9UHC9 1/20 0.35
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8209942 0.84 HSD11B1 (0.50) HSD11B1CACNA1H
SCHEMBL12777757 0.84 HSD11B1 (0.50) HSD11B1CACNA1H
SCHEMBL14280465 0.76 TRPV1 (0.55) CACNA1HALDH1A1
SCHEMBL14280321 0.75 TRPV1 (0.54) CACNA1HALDH1A1
SCHEMBL8202443 0.74 TRPV1 (0.49) HSD11B1CACNA1HALDH1A1
SCHEMBL8201959 0.74 CACNA1H (0.62) HSD11B1CACNA1H
SCHEMBL8213443 0.74 CACNA1H (0.52) HSD11B1CACNA1H
SCHEMBL8209936 0.72 HSD11B1 (0.50) HSD11B1CACNA1H
SCHEMBL14265972 0.72 LMNA (0.38) HSD11B1CACNA1HNPC1L1
SCHEMBL12890375 0.71 SMN1; SMN2 (0.42) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008033431-A1 SPIROCYCLIC AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF LIPID METABOLISM, PAIN, DIABETES AND OTHER DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed