SCHEMBL2365577

SCHEMBL2365577

O=C(O)N1CCC(CCOc2ccc(-n3cccc3)cc2)CC1Cc1nccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
LTA4H P09960 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
KCNA5 P22460 5/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACKR3 P25106 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL2363548 0.87 KDM4E (0.43) LTA4HTEAD1TEAD3SMN1; SMN2
SCHEMBL2365494 0.86 ACKR3 (0.45) HRH2HRH1LTA4HTEAD1TEAD3
SCHEMBL2364770 0.84 GPR119 (0.41) HRH2HRH1LTA4HTEAD1TEAD3
SCHEMBL2365374 0.83 TEAD1 (0.35) LTA4HTEAD1TEAD3MRGPRX4MEN1
SCHEMBL2365496 0.82 TEAD1 (0.36) LTA4HTEAD1TEAD3MRGPRX4MEN1
SCHEMBL2365569 0.80 KCNA5 (0.36) HRH2HRH1LTA4HTEAD1TEAD3
SCHEMBL2365578 0.78 GRIN2B (0.46) HRH2HRH1TEAD1TEAD3CYP1A2
SCHEMBL2365541 0.76 GAA (0.39) MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2365504 0.73 ACKR3 (0.42) LTA4HTEAD1TEAD3ACKR3CYP3A4
SCHEMBL2365258 0.73 ACKR3 (0.42) LTA4HTEAD1TEAD3ACKR3

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