SCHEMBL8524822

SCHEMBL8524822

CN(C(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLN Q9BYT8 2/20 0.39
MMP9 P14780 2/20 0.39
CTNNB1 P35222 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
MME P08473 2/20 0.36
ACE P12821 2/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
METAP2 P50579 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
REN P00797 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL8524821 1.00 NLN (0.39) NLNMMP9CTNNB1HRH4MME
SCHEMBL8481892 0.79 HRH4 (0.56) MMP9CTNNB1HRH4MMEACE
SCHEMBL8481408 0.79 HRH4 (0.56) MMP9CTNNB1HRH4MMEACE
SCHEMBL8481399 0.79 HRH4 (0.56) MMP9CTNNB1HRH4MMEACE
SCHEMBL8486522 0.79 MMP9 (0.55) NLNMMP9HRH4MMEACE
SCHEMBL8486527 0.79 MMP9 (0.55) NLNMMP9HRH4MMEACE
D-Histidine SCHEMBL5963112 0.77 MAPT (0.48) NLNCTNNB1HRH4TDP1
SCHEMBL31734732 0.77 SMPD2 (0.36) CTNNB1HRH4TDP1
SCHEMBL8484193 0.76 MMP2 (0.55) MMP9HRH4MMEACECPA1
SCHEMBL8484198 0.76 MMP2 (0.55) MMP9HRH4MMEACECPA1

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 4 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
WO-1997026246-A1 SUBSTITUTED HISTIDINE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-07-24 WO 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