SCHEMBL8486470

SCHEMBL8486470

O=C(NC(Cc1c[nH]cn1)C(=O)NCCO)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.44
▸ FNTA P49354 1/20 0.43
▸ PGGT1B P53609 1/20 0.43
▸ MMP9 P14780 4/20 0.42
▸ MMP8 P22894 4/20 0.42
▸ MMP2 P08253 3/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ REN P00797 4/20 0.41
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ MMP14 P50281 1/20 0.38
▸ VNN1 O95497 1/20 0.38

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
SCHEMBL8486463 1.00 HRH4 (0.44) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8485136 0.92 FNTA (0.47) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8485139 0.92 FNTA (0.47) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8481703 0.91 REN (0.43) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8481701 0.91 REN (0.43) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8485799 0.90 CTSS (0.46) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8485801 0.90 CTSS (0.46) HRH4FNTAPGGT1BMMP9MMP8
SCHEMBL8487755 0.90 HRH4 (0.48) HRH4FNTAPGGT1BCTSSCTSK
SCHEMBL8487752 0.90 HRH4 (0.48) HRH4FNTAPGGT1BCTSSCTSK
SCHEMBL8481922 0.89 CTSS (0.48) HRH4FNTAPGGT1BMMP9MMP8

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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