SCHEMBL5754373

SCHEMBL5754373

O=C(NCC(NC(=O)[C@@H]1CSCN1)C(Cc1ccc(N2CCOCC2)cc1)SCC1CCCCC1)c1ccccc1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
REN P00797 3/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CAPN1 P07384 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSC P53634 1/20 0.30
BACE1 P56817 1/20 0.30
ACACB O00763 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
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
SCHEMBL5755208 0.86 CACNA1B (0.36) MAPTALDH1A1CTSLCTSSKDM4E
SCHEMBL5754339 0.86 ALDH1A1 (0.35) ALDH1A1HPGDKMT2A
SCHEMBL5752525 0.86 BACE1 (0.32) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL5757143 0.86 ALDH1A1 (0.35) ALDH1A1HPGDKMT2A
SCHEMBL5753443 0.85 GSK3B (0.33) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL5756531 0.84 HTR2C (0.40)
SCHEMBL5756949 0.83 REN (0.37) RENCTSLCTSSCTSKKDM4E
SCHEMBL5758658 0.83 CCR1 (0.34) TSHRALDH1A1KDM4ELMNAHPGD
SCHEMBL5753832 0.81 CACNA1B (0.36) CTSSCTSCBACE1
SCHEMBL5753219 0.81 ALDH1A1 (0.34) ALDH1A1LMNAHPGDBACE1KMT2A

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