SCHEMBL21390924

SCHEMBL21390924

COc1cccc2nc(CCCCC(=O)CC(C)(C)C)n(C3CCC3)c12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.34
APLNR P35414 11/20 0.34
PDE10A Q9Y233 1/20 0.34
JAK1 P23458 1/20 0.33
TNF P01375 2/20 0.33
LITAF Q99732 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 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
SCHEMBL21390891 0.84 TNF (0.36) APLNRPDE10AJAK1TNFLITAF
SCHEMBL21390679 0.81 TNF (0.36) APLNRPDE10AJAK1TNFLITAF
SCHEMBL21391170 0.79 KDM2B (0.33) APLNR
SCHEMBL23132031 0.79 CYP11B2 (0.41)
SCHEMBL21391130 0.78 CYP11B2 (0.38) PDE10A
SCHEMBL21390682 0.77 JAK1 (0.32) JAK1TSHR
SCHEMBL21390947 0.77
SCHEMBL21354604 0.77 EGFR (0.40) HTR3AALDH1A1TSHR
SCHEMBL21390819 0.76 CNR2 (0.32) JAK1
SCHEMBL21390815 0.76 HDAC1 (0.33) PDE10AJAK1TNFLITAF

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-2019183148-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KNOPP BIOSCIENCES LLC (US) 2019-09-26 WO disclosed