SCHEMBL2365504

SCHEMBL2365504

O=C(O)N1CCC(CCOc2ccc(-c3nccs3)cc2)CC1Cc1cncs1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.42
LTA4H P09960 3/20 0.40
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
SLC6A4 P31645 1/20 0.33
FFAR1 O14842 1/20 0.33
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
CYP3A4 P08684 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
SCHEMBL2365494 0.87 ACKR3 (0.45) ACKR3LTA4HPPARDPPARAGPR119
SCHEMBL2365327 0.85 KDM4E (0.40) LTA4HFFAR1TEAD1TEAD3PARP15
SCHEMBL2365258 0.85 ACKR3 (0.42) ACKR3LTA4HPPARDPPARAGPR119
SCHEMBL2365423 0.84 LTA4H (0.35) LTA4HGPR119ITGB3ITGA2BTEAD1
SCHEMBL2365536 0.84 LIPE (0.36) LTA4HPPARDPPARAITGB3ITGA2B
SCHEMBL2363075 0.84 S1PR5 (0.40)
SCHEMBL2365374 0.83 TEAD1 (0.35) LTA4HITGB3ITGA2BTEAD1TEAD3
SCHEMBL2365345 0.79 ALDH1A1 (0.37) CYP3A4
SCHEMBL2365505 0.79 GRIN2B (0.44) ACKR3LTA4HGPR119TEAD1TEAD3
SCHEMBL2365397 0.79 TEAD1 (0.32) PPARDPPARAGPR119TEAD1TEAD3

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