SCHEMBL8225665

SCHEMBL8225665

O=C(NC1=CC(F)CC(F)=C1)N1CCC2(CC1)CN(CC1C=CC=CC1)C2c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 12/20 0.45
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL8224709 0.80 CACNA1H (0.53) CACNA1H
SCHEMBL8218861 0.79 CACNA1H (0.70) CACNA1HCYP2C19HTTKMT2A
SCHEMBL8224110 0.78 CACNA1H (0.32) CACNA1H
SCHEMBL8229746 0.70 CACNA1H (0.61) CACNA1H
SCHEMBL8224484 0.68 CACNA1H (0.57) CACNA1H
SCHEMBL8221209 0.67 CACNA1H (0.70) CACNA1HKMT2A
SCHEMBL8224560 0.66 CACNA1H (0.88) CACNA1H
SCHEMBL8224541 0.66 CACNA1H (0.66) CACNA1HCYP2C19HTTKMT2A
SCHEMBL13595937 0.65 CACNA1H (0.67) CACNA1H
SCHEMBL8218790 0.65 CACNA1H (0.73) CACNA1H

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-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed