SCHEMBL4747555

SCHEMBL4747555

N[C@@H]1COc2cccc(CN3CCN(C(=O)O)CC3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.46
KMT2A Q03164 4/20 0.39
TSHR P16473 1/20 0.39
AIMP2 Q13155 1/20 0.39
LTA4H P09960 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CCR8 P51685 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 2/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4750958 0.85 VEGFA (0.42) FAAHALDH1A1KDM4E
SCHEMBL4749778 0.84 LTA4H (0.41) KMT2ALTA4HALDH1A1KDM4EMEN1
SCHEMBL4750459 0.83 LTA4H (0.41) LTA4HALDH1A1KDM4ELMNASIGMAR1
SCHEMBL4788759 0.83 LTA4H (0.40) KMT2ALTA4HALDH1A1KDM4EMEN1
SCHEMBL4747133 0.83 LTA4H (0.42) KMT2ALTA4HALDH1A1KDM4EMEN1
Ammonia Solution, Strong SCHEMBL4788727 0.82 LTA4H (0.41) LTA4HALDH1A1KDM4ELMNASIGMAR1
SCHEMBL4749740 0.80 KMT2A (0.41) FAAHKMT2ATSHRAIMP2LTA4H
SCHEMBL211923 0.76 FAAH (0.72) FAAHKMT2ATSHRALDH1A1KDM4E
SCHEMBL3085198 0.70 FAAH (0.48) FAAHKMT2AALDH1A1KDM4ELMNA
SCHEMBL4746893 0.69 ALDH1A1 (0.47) TSHRALDH1A1KDM4E

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-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed