SCHEMBL4749778

SCHEMBL4749778

N[C@@H]1COc2cccc(CN3CCCC3)c2C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRNA7 P36544 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
SCHEMBL4788759 0.99 LTA4H (0.40) LTA4HALDH1A1KDM4EPOLBADRA2A
SCHEMBL4747133 0.99 LTA4H (0.42) LTA4HALDH1A1KDM4EPOLBADRA2A
SCHEMBL4750459 0.88 LTA4H (0.41) LTA4HALDH1A1KDM4EPOLBCHRNA7
Ammonia Solution, Strong SCHEMBL4788727 0.87 LTA4H (0.41) LTA4HALDH1A1KDM4EPOLBCHRNA7
SCHEMBL4747555 0.84 FAAH (0.46) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL4750958 0.79 VEGFA (0.42) ALDH1A1KDM4EPOLBMAPT
SCHEMBL4788563 0.76 DRD3 (0.42) ALDH1A1POLBADRA2AADRA2BADRA2C
SCHEMBL4788569 0.76 DRD3 (0.42) ALDH1A1POLBADRA2AADRA2BADRA2C
Ammonia Solution, Strong SCHEMBL4789081 0.76 TDP1 (0.46) LTA4HALDH1A1KDM4EPOLB
SCHEMBL4788900 0.74 CXCR3 (0.43) LTA4HMEN1KMT2A

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