SCHEMBL8317168

SCHEMBL8317168

O=C(NCc1cccc2ccccc12)OC1CCc2ccccc2O1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX1 P07099 1/20 0.40
BCHE P06276 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39
MTNR1A P48039 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
SCHEMBL8317135 0.85 CYP2D6 (0.43) P2RX7MEN1MAPTKMT2AATM
SCHEMBL7321555 0.81 P2RX7 (0.52) P2RX7MEN1MAPTKMT2A
SCHEMBL21092222 0.81 P2RX7 (0.52) P2RX7MEN1MAPTKMT2A
SCHEMBL8315667 0.76 EPHX1 (0.41) MEN1MAPTKMT2AEPHX1
SCHEMBL9290880 0.75 SSTR4 (0.45) MTNR1A
SCHEMBL9379406 0.75 MEN1 (0.46) MEN1KMT2AEPHX1
SCHEMBL21091998 0.72 NFKB1 (0.54)
SCHEMBL21092001 0.72 NFKB1 (0.54)
SCHEMBL4197198 0.71 CA2 (0.43)
SCHEMBL7336911 0.71 CA2 (0.43)

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