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SCHEMBL22850400

SCHEMBL22850400

CC(=O)N[C@H]1C/C=C\COc2ccc(cc2)C[C@@H](C(=O)NC(CCCNC(=N)N)C(=O)c2nc3ccccc3s2)NC(=O)[C@H](CC(C)C)NC1=O

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPN P05981 16/20 0.84
▸ ST14 Q9Y5Y6 16/20 0.84
▸ TMPRSS2 O15393 14/20 0.84
▸ F2 P00734 14/20 0.84
▸ HGFAC Q04756 14/20 0.77
▸ F10 P00742 5/20 0.66
▸ OPRM1 P35372 3/20 0.48
▸ OPRK1 P41145 3/20 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
SCHEMBL31593138 1.00 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593090 0.96 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593136 0.92 HPN (0.85) HPNST14TMPRSS2F2HGFAC
SCHEMBL22850825 0.92 HPN (0.71) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593139 0.91 HPN (0.83) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593094 0.91 HPN (0.83) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593104 0.89 HPN (0.86) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593114 0.88 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593124 0.87 HPN (0.84) HPNST14TMPRSS2F2HGFAC
SCHEMBL31593092 0.87 HPN (0.84) HPNST14TMPRSS2F2HGFAC

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
WO-2020264187-A1 COMPOUNDS AND METHODS FOR TREATING CANCER, VIRAL INFECTIONS, AND ALLERGIC CONDITIONS JANETKA JAMES (US) 2020-12-30 — — WO disclosed
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