SCHEMBL2365374

SCHEMBL2365374

O=C(O)N1CCC(CCOc2ccc(-n3cccc3)cc2)CC1Cc1cncs1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
LTA4H P09960 1/20 0.35
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
ACACB O00763 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HCRTR1 O43613 3/20 0.30
HCRTR2 O43614 3/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
DRD3 P35462 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
SCHEMBL2365327 0.87 KDM4E (0.40) TEAD1TEAD3LTA4HPARP15PARP10
SCHEMBL2365536 0.85 LIPE (0.36) TEAD1TEAD3LTA4HPARP15PARP10
SCHEMBL2363075 0.85 S1PR5 (0.40)
SCHEMBL2365423 0.85 LTA4H (0.35) TEAD1TEAD3LTA4HPARP15PARP10
SCHEMBL2365577 0.83 HRH2 (0.37) TEAD1TEAD3LTA4HMRGPRX4MEN1
SCHEMBL2365496 0.83 TEAD1 (0.36) TEAD1TEAD3LTA4HMRGPRX4MEN1
SCHEMBL2365504 0.83 ACKR3 (0.42) TEAD1TEAD3LTA4HPARP15PARP10
SCHEMBL2365528 0.81 FFAR1 (0.36) TEAD1TEAD3ACACBHCRTR1HCRTR2
SCHEMBL2365345 0.80 ALDH1A1 (0.37) MEN1KMT2ADRD2
SCHEMBL2365397 0.80 TEAD1 (0.32) TEAD1TEAD3MEN1KMT2A

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