SCHEMBL8315667

SCHEMBL8315667

O=C(NCC1CCCC1)OC1CCc2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CA2 P00918 2/20 0.41
NAMPT P43490 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.39
DRD2 P14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9290880 0.80 SSTR4 (0.45) CA2HPGD
SCHEMBL9379406 0.80 MEN1 (0.46) EPHX1KMT2AMEN1HPGD
SCHEMBL7320109 0.79 HDAC3 (0.46) EPHX1CA2KMT2AMEN1
SCHEMBL8317168 0.76 P2RX7 (0.44) EPHX1KMT2AMEN1MAPT
SCHEMBL7336911 0.76 CA2 (0.43) CA2HPGD
SCHEMBL4197198 0.76 CA2 (0.43) CA2HPGD
SCHEMBL9379705 0.74 CA2 (0.43) CA2HPGDDRD2ALDH1A1NPSR1
SCHEMBL6493103 0.74 GABRA1 (0.47) CA2HPGDDRD2
SCHEMBL5695473 0.74 CA2 (0.46) CA2HPGD
SCHEMBL7309998 0.72 HTR1A (0.57) CA2DRD2

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
EP-0540914-B1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1999-06-02 EP disclosed
EP-0540914-A1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-05-12 EP disclosed