SCHEMBL22840032

SCHEMBL22840032

O=C(N[C@@H](CCCCNCc1ccc(Br)cc1)C(=O)O)N[C@@H](CCC(O)O)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 18/20 0.83
▸ FPR2 P25090 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL11977593 0.91 FOLH1 (1.00) FOLH1
SCHEMBL24336825 0.91 FOLH1 (1.00) FOLH1
SCHEMBL24585283 0.85 FOLH1 (0.77) FOLH1FPR2
SCHEMBL20312210 0.84 FOLH1 (0.72) FOLH1FPR2
SCHEMBL22466340 0.81 FOLH1 (0.79) FOLH1
SCHEMBL22466339 0.81 FOLH1 (0.79) FOLH1
SCHEMBL11977622 0.79 FOLH1 (1.00) FOLH1
SCHEMBL4673746 0.79 FOLH1 (1.00) FOLH1
SCHEMBL4336024 0.79 FOLH1 (1.00) FOLH1
SCHEMBL11977600 0.79 FOLH1 (1.00) FOLH1

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
EP-3335736-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2020-12-30 — — EP disclosed
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