SCHEMBL8437402

SCHEMBL8437402

O=C(OCc1ccccc1)N1C[C@H](O)C[C@H]1COc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
GRIN2B Q13224 1/20 0.43
CHRNA1 P02708 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNB3 Q05901 1/20 0.42

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
SCHEMBL8435479 0.82 CYP3A4 (0.40) LMNAKMT2ATDP1CHRNB2CHRNA4
SCHEMBL23579325 0.82 CHRNB1 (0.57) CHRNB2CHRNA4CYP3A4CYP2D6CYP2C9
SCHEMBL92404 0.82 NR4A1 (0.50) POLBLMNACHRNB2CHRNA4CHRNA7
SCHEMBL8520682 0.82 POLB (0.48) POLBGRIN2B
SCHEMBL777767 0.80 CHRNA7 (0.59) CHRNA7
SCHEMBL31722127 0.79 POLB (0.55) POLB
SCHEMBL26714275 0.79 POLB (0.55) POLB
SCHEMBL9639986 0.78 POLB (0.54) POLB
SCHEMBL14254474 0.78 POLB (0.48) POLBLMNAKMT2ATDP1CHRNB2
SCHEMBL91574 0.78 POLB (0.48) POLBLMNAKMT2ATDP1CHRNB2

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
US-5948793-A 3-pyridyloxymethyl heterocyclic ether compounds useful in controlling neurotransmitter release ABBOTT LABORATORIES (US) 1999-09-07 US disclosed