SCHEMBL8485136

SCHEMBL8485136

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)NCCc1c[nH]cn1)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.47
▸ PGGT1B P53609 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.44
▸ MMP2 P08253 3/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ REN P00797 3/20 0.41
▸ NMBR P28336 2/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ TACR3 P29371 1/20 0.39
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL8485139 1.00 FNTA (0.47) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8487755 0.93 HRH4 (0.48) FNTAPGGT1BHRH4CTSSCTSK
SCHEMBL8487752 0.93 HRH4 (0.48) FNTAPGGT1BHRH4CTSSCTSK
SCHEMBL8486470 0.92 HRH4 (0.44) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8486463 0.92 HRH4 (0.44) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8481701 0.91 REN (0.43) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8481703 0.91 REN (0.43) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8485799 0.90 CTSS (0.46) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8485801 0.90 CTSS (0.46) FNTAPGGT1BHRH4MMP2MMP9
SCHEMBL8481922 0.89 CTSS (0.48) FNTAPGGT1BHRH4MMP2MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 — — US claimed
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 — — US disclosed
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 — — WO disclosed
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