SCHEMBL20312204

SCHEMBL20312204

O=C(O)CNC(=O)N[C@@H](CCCCNCc1ccc(F)cc1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 16/20 0.77
▸ ALDH1A1 P00352 1/20 0.52
▸ TGM2 P21980 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47

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
SCHEMBL22840006 1.00 FOLH1 (0.77) FOLH1ALDH1A1TGM2CYP2D6KCNH2
SCHEMBL22840033 0.89 FOLH1 (0.76) FOLH1ALDH1A1
SCHEMBL22839997 0.88 FOLH1 (0.77) FOLH1ALDH1A1
SCHEMBL22839976 0.88 FOLH1 (0.61) FOLH1TGM2
SCHEMBL20312089 0.88 FOLH1 (0.61) FOLH1TGM2
SCHEMBL24585283 0.88 FOLH1 (0.77) FOLH1
SCHEMBL17700969 0.87 FOLH1 (1.00) FOLH1
SCHEMBL11977594 0.87 FOLH1 (1.00) FOLH1
SCHEMBL21991730 0.86 FOLH1 (0.98) FOLH1
SCHEMBL22840029 0.81 FOLH1 (0.78) 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-2942065-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2018-06-27 — — EP disclosed
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