SCHEMBL5754552

SCHEMBL5754552

CN1CCC(C(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NC(=O)[C@@H]2CSCN2)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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
SCHEMBL5758658 0.91 CCR1 (0.34) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL5757640 0.82 HSD17B10 (0.40) KDM4E
SCHEMBL5752071 0.82 ACHE (0.37) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL5754339 0.79 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL5752525 0.79 BACE1 (0.32) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL5757143 0.79 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL5754373 0.78 MAPT (0.32) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL5755208 0.77 CACNA1B (0.36) NPC1KDM4EALDH1A1LMNAHPGD
SCHEMBL5753443 0.77 GSK3B (0.33) KDM4EALDH1A1LMNAHTT
SCHEMBL5756531 0.76 HTR2C (0.40)

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
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed