SCHEMBL9068701

SCHEMBL9068701

O=C(O)CCCCCCNC(=O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.52
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ GRIA1 P42261 1/20 0.49
▸ NAALAD2 Q9Y3Q0 1/20 0.49
▸ EPHX2 P34913 1/20 0.48

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
SCHEMBL11296564 0.95 ATM (0.52) FOLH1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL650610 0.89 ACE (0.59) NAALAD2
SCHEMBL391211 0.89 ACE (0.59) NAALAD2
SCHEMBL5603448 0.89 ACE (0.59) NAALAD2
SCHEMBL9069505 0.87 HTT (0.54) FOLH1GRIA1
SCHEMBL7380315 0.84 MMEL1 (0.64) —
SCHEMBL7385743 0.84 MMEL1 (0.64) —
SCHEMBL9068706 0.81 FOLH1 (0.45) FOLH1
SCHEMBL7385019 0.81 MME (0.64) NAALAD2
SCHEMBL9365219 0.80 MME (0.57) NAALAD2

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-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 — — US disclosed
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