SCHEMBL2363548

SCHEMBL2363548

O=C(O)N1CCC(CCOc2ccc(OCc3ccccc3)cc2)CC1Cc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM4 P08173 2/20 0.41
GRIN2B Q13224 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPY1R P25929 1/20 0.40
LTA4H P09960 4/20 0.39
EPHX2 P34913 2/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38

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
SCHEMBL2365494 0.88 ACKR3 (0.45) LTA4HTEAD1TEAD3
SCHEMBL2365577 0.87 HRH2 (0.37) SMN1; SMN2LTA4HTEAD1TEAD3
SCHEMBL2364770 0.87 GPR119 (0.41) LTA4HTEAD1TEAD3
SCHEMBL2365327 0.83 KDM4E (0.40) KDM4EALDH1A1LMNAHTTNPC1
SCHEMBL2365569 0.80 KCNA5 (0.36) LTA4HTEAD1TEAD3
SCHEMBL2363549 0.79 GRIN2B (0.58) NPC1RAB9ASMN1; SMN2CHRM4GRIN2B
SCHEMBL2365541 0.79 GAA (0.39) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2365504 0.76 ACKR3 (0.42) LTA4HTEAD1TEAD3
SCHEMBL2365258 0.76 ACKR3 (0.42) LTA4HEPHX2TEAD1TEAD3
SCHEMBL2363554 0.76 HTR7 (0.36) KDM4EALDH1A1LMNALTA4H

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