SCHEMBL2363554

SCHEMBL2363554

O=C(O)N1CCC(CCOc2ccccc2-c2nc3ccccc3o2)CC1Cc1nccs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.36
ITGB1 P05556 2/20 0.35
ITGA4 P13612 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR1 P21453 1/20 0.34
LMNA P02545 2/20 0.34
KCNH2 Q12809 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
TLR9 Q9NR96 1/20 0.32
SGMS2 Q8NHU3 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
SCHEMBL2363555 0.81 GRIN2B (0.44) MAPTKDM4ELMNA
SCHEMBL2365541 0.79 GAA (0.39) MAPTKDM4EALDH1A1
SCHEMBL2363548 0.76 KDM4E (0.43) KDM4ELMNALTA4HALDH1A1
SCHEMBL2365577 0.73 HRH2 (0.37) MAPTLTA4HTP53
SCHEMBL2365494 0.73 ACKR3 (0.45) LTA4H
SCHEMBL2364770 0.72 GPR119 (0.41) LTA4H
SCHEMBL2365569 0.71 KCNA5 (0.36) LTA4H
SCHEMBL2231139 0.70 MET (0.40) LMNA
SCHEMBL2226186 0.68 MMP2 (0.39) S1PR1LMNA
SCHEMBL2365345 0.67 ALDH1A1 (0.37) KDM4EALDH1A1SGMS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO disclosed