SCHEMBL2365327

SCHEMBL2365327

O=C(O)N1CCC(CCOc2ccc(OCc3ccccc3)cc2)CC1Cc1cncs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
CHRM4 P08173 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
LTA4H P09960 2/20 0.38
EPHX2 P34913 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
FFAR1 O14842 1/20 0.37
NPY1R P25929 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL2365345 0.91 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL2365374 0.87 TEAD1 (0.35) PARP15PARP10LTA4HTEAD1TEAD3
SCHEMBL2363075 0.86 S1PR5 (0.40) L3MBTL1TP53
SCHEMBL2365423 0.86 LTA4H (0.35) CHRM4ALDH1A1PARP15PARP10LTA4H
SCHEMBL2365536 0.86 LIPE (0.36) PARP15PARP10LTA4HEPHX2TEAD1
SCHEMBL2365504 0.85 ACKR3 (0.42) PARP15PARP10LTA4HTEAD1TEAD3
SCHEMBL2363548 0.83 KDM4E (0.43) KDM4ECHRM4ALDH1A1LMNAHTT
SCHEMBL2365528 0.81 FFAR1 (0.36) ALDH1A1EPHX2TEAD1TEAD3FFAR1
SCHEMBL2365397 0.81 TEAD1 (0.32) TEAD1TEAD3
SCHEMBL2365446 0.80 POLB (0.38) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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