SCHEMBL2365494

SCHEMBL2365494

O=C(O)N1CCC(CCOc2ccc(-c3nccs3)cc2)CC1Cc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.45
LTA4H P09960 3/20 0.40
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
FFAR1 O14842 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35

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
SCHEMBL2363548 0.88 KDM4E (0.43) LTA4HTEAD1TEAD3
SCHEMBL2364770 0.88 GPR119 (0.41) ACKR3LTA4HHRH2HRH1GPR119
SCHEMBL2365258 0.87 ACKR3 (0.42) ACKR3LTA4HPPARDPPARAABL1
SCHEMBL2365504 0.87 ACKR3 (0.42) ACKR3LTA4HPPARDPPARAABL1
SCHEMBL2365577 0.86 HRH2 (0.37) ACKR3LTA4HHRH2HRH1TEAD1
SCHEMBL2365569 0.81 KCNA5 (0.36) ACKR3LTA4HHRH2HRH1PPARD
SCHEMBL2365495 0.77 GRIN2B (0.47) ACKR3LTA4HHRH2HRH1ABL1
SCHEMBL2365541 0.76 GAA (0.39)
SCHEMBL2363554 0.73 HTR7 (0.36) LTA4H
SCHEMBL2365327 0.71 KDM4E (0.40) LTA4HFFAR1TEAD1TEAD3

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