SCHEMBL2365345

SCHEMBL2365345

O=C(O)N1CCC(CCOc2ccccc2OCc2ccccc2)CC1Cc1cncs1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APP P05067 1/20 0.34
SGMS2 Q8NHU3 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
FAAH O00519 1/20 0.33
CYP3A4 P08684 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
SCHEMBL2365327 0.91 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL2365446 0.85 POLB (0.38) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2365374 0.80 TEAD1 (0.35) MEN1KMT2ADRD2
SCHEMBL2365346 0.79 GRIN2B (0.49) LTB4RLTB4R2MEN1KMT2ASMN1; SMN2
SCHEMBL2365536 0.79 LIPE (0.36)
SCHEMBL2365423 0.79 LTA4H (0.35) ALDH1A1MEN1KMT2AFAAH
SCHEMBL2363075 0.79 S1PR5 (0.40)
SCHEMBL2365504 0.79 ACKR3 (0.42) CYP3A4
SCHEMBL2365528 0.78 FFAR1 (0.36) ALDH1A1
SCHEMBL2365397 0.77 TEAD1 (0.32) MEN1KMT2A

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 1 patent. 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 disclosed