SCHEMBL2365258

SCHEMBL2365258

O=C(O)N1CCC(CCOc2ccc(-c3nccs3)cc2)CC1Cc1cscn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.42
LTA4H P09960 3/20 0.38
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GPR119 Q8TDV5 2/20 0.33
ABL1 P00519 2/20 0.33
BCR P11274 2/20 0.33
FFAR1 O14842 1/20 0.33
TEAD1 P28347 1/20 0.32
TEAD3 Q99594 1/20 0.32
ALOX5AP P20292 1/20 0.32
FAAH O00519 1/20 0.32
EPHX2 P34913 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL2365504 0.85 ACKR3 (0.42) ACKR3LTA4HPPARDPPARAGPR119
SCHEMBL2365457 0.83 LIPE (0.36) LTA4HPPARDPPARAFFAR1TEAD1
SCHEMBL2363761 0.83 S1PR5 (0.41)
SCHEMBL2365496 0.82 TEAD1 (0.36) LTA4HTEAD1TEAD3
SCHEMBL2365259 0.79 GRIN2B (0.44) ACKR3LTA4HGPR119ABL1BCR
SCHEMBL2365539 0.78 TEAD1 (0.32) PPARDPPARATEAD1TEAD3
SCHEMBL2365562 0.77 FFAR1 (0.37) PPARDPPARAFFAR1TEAD1TEAD3
SCHEMBL2363548 0.76 KDM4E (0.43) LTA4HTEAD1TEAD3EPHX2
SCHEMBL2364770 0.75 GPR119 (0.41) ACKR3LTA4HGPR119TEAD1TEAD3

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