SCHEMBL9702562

SCHEMBL9702562

COC(=O)C=CCNCC(Cc1ccccc1)NC(=O)C(C)NC(=O)OCc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NMBR P28336 3/20 0.47
REN P00797 2/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
MMP2 P08253 3/20 0.45
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP14 P50281 3/20 0.45
CTSL P07711 1/20 0.43
MME P08473 2/20 0.43
ECE1 P42892 2/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL9702567 0.85 NMBR (0.47) NMBRMAPTALDH1A1CYP3A4CTSL
SCHEMBL9540278 0.78 TACR1 (0.50)
SCHEMBL9540282 0.78 TACR1 (0.50)
SCHEMBL12052816 0.75 NMBR (0.69) NMBRRENMAPTLMNAGAA
SCHEMBL12062839 0.75 NMBR (0.69) NMBRRENMAPTLMNAGAA
SCHEMBL12052755 0.75 NMBR (0.69) NMBRRENMAPTLMNAGAA
SCHEMBL8098291 0.75 NMBR (0.69) NMBRRENMAPTLMNAGAA
SCHEMBL5380211 0.75 NMBR (0.69) NMBRRENMAPTLMNAGAA
SCHEMBL8403999 0.75 NMBR (0.69) NMBRRENMAPTLMNAGAA
SCHEMBL10629877 0.74 NMBR (0.62) NMBRMAPTLMNAALDH1A1CYP3A4

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-1992004038-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed