SCHEMBL7343530

SCHEMBL7343530

O=C(OCc1ccccc1)N1C[C@@H](c2ccccc2)C[C@H]1C(O)=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTR2C P28335 1/20 0.43
FABP7 O15540 1/20 0.43
FABP5 Q01469 1/20 0.43
HCRTR2 O43614 1/20 0.43
PREP P48147 2/20 0.42
CYP2C19 P33261 1/20 0.42
KDM1A O60341 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL10778853 1.00 POLB (0.46) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL7378922 0.90 SMN1; SMN2 (0.49) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL6222025 0.90 SMN1; SMN2 (0.49) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL7378920 0.90 SMN1; SMN2 (0.49) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL10571017 0.88 FABP7 (0.50) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL7394116 0.87 POLB (0.47) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL14762670 0.86 POLB (0.45) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL7022852 0.85 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL7022855 0.85 POLB (0.49) POLBSMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL11281703 0.82 NPC1 (0.45) POLBPSEN1PSEN2APH1BNCSTN

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-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed