SCHEMBL13619459

SCHEMBL13619459

C/C=C1\CC(OC(=O)N2CC(C(=O)NCc3ccc(O)c(OC)c3)C2)CC(C)(C)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.46
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL43562 0.87 TRPV1 (0.49) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL42608 0.83 TRPV1 (0.48) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL38771 0.80 TRPV1 (0.53) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL42763 0.78 TRPV1 (0.47) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL43612 0.78 TRPV1 (0.49) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL47188 0.78 TRPV1 (0.49) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL41898 0.78 TRPV1 (0.47) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL42564 0.78 TRPV1 (0.47) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL41897 0.78 TRPV1 (0.47) TRPV1ACHEBACE1CYP3A4CYP2C19
SCHEMBL42854 0.78 ACHE (0.49) TRPV1ACHEBACE1MEN1POLB

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-2009136625-A1 CYCLIC AMINE-1-CARBOXYLIC ACID ESTER DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-11-12 WO disclosed