SCHEMBL8481637

SCHEMBL8481637

CCN(CC)CCNC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.42
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ FNTA P49354 1/20 0.40
▸ PGGT1B P53609 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ MME P08473 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ HTR2A P28223 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 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
SCHEMBL8481703 0.90 REN (0.43) RENMMP2MMP9MMP8CTSS
SCHEMBL8481701 0.90 REN (0.43) RENMMP2MMP9MMP8CTSS
SCHEMBL8485799 0.89 CTSS (0.46) RENMMP2MMP9MMP8CTSS
SCHEMBL8485801 0.89 CTSS (0.46) RENMMP2MMP9MMP8CTSS
SCHEMBL8485139 0.87 FNTA (0.47) RENMMP2MMP9MMP8CTSS
SCHEMBL8486463 0.87 HRH4 (0.44) RENMMP2MMP9MMP8CTSS
SCHEMBL8485136 0.87 FNTA (0.47) RENMMP2MMP9MMP8CTSS
SCHEMBL8486470 0.87 HRH4 (0.44) RENMMP2MMP9MMP8CTSS
SCHEMBL8487773 0.86 MMP1 (0.48) RENMMP2MMP9MMP8CTSS
SCHEMBL8487777 0.86 MMP1 (0.48) RENMMP2MMP9MMP8CTSS

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 2 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
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