SCHEMBL2365536

SCHEMBL2365536

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
LTA4H P09960 1/20 0.35
SLC6A3 Q01959 2/20 0.35
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
EPHX2 P34913 1/20 0.34
SLC6A5 Q9Y345 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33

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
SCHEMBL2365423 0.88 LTA4H (0.35) TEAD1TEAD3LTA4HPARP15PARP10
SCHEMBL2363075 0.86 S1PR5 (0.40)
SCHEMBL2365327 0.86 KDM4E (0.40) TEAD1TEAD3LTA4HFFAR1EPHX2
SCHEMBL2365374 0.85 TEAD1 (0.35) TEAD1TEAD3LTA4HPARP15PARP10
SCHEMBL2365397 0.84 TEAD1 (0.32) TEAD1TEAD3PPARDPPARA
SCHEMBL2365504 0.84 ACKR3 (0.42) TEAD1TEAD3LTA4HFFAR1PPARD
SCHEMBL2365457 0.83 LIPE (0.36) LIPETEAD1TEAD3LTA4HFFAR1
SCHEMBL2365528 0.80 FFAR1 (0.36) TEAD1TEAD3FFAR1PPARDPPARA
SCHEMBL2365345 0.79 ALDH1A1 (0.37)
SCHEMBL2365537 0.78 LIPE (0.44) LIPETEAD1TEAD3PARP15PARP10

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