SCHEMBL8486193

SCHEMBL8486193

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
REN P00797 4/20 0.44
MMP9 P14780 2/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
TACR1 P25103 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
CPA1 P15085 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40

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
SCHEMBL8486197 1.00 HRH4 (0.45) HRH4RENMMP9MMP2MMP8
SCHEMBL8481408 0.89 HRH4 (0.56) HRH4MMP9MMP2MMP8MME
SCHEMBL8481892 0.89 HRH4 (0.56) HRH4MMP9MMP2MMP8MME
SCHEMBL8481399 0.89 HRH4 (0.56) HRH4MMP9MMP2MMP8MME
SCHEMBL8484198 0.89 MMP2 (0.55) HRH4RENMMP9MMP2MMP8
SCHEMBL8484193 0.89 MMP2 (0.55) HRH4RENMMP9MMP2MMP8
SCHEMBL10520319 0.89 HRH4 (0.44) HRH4RENMMP9MMP2MMP8
SCHEMBL8481430 0.88 TACR1 (0.42) HRH4RENMMP9MMP2MMP8
SCHEMBL8481435 0.88 TACR1 (0.42) HRH4RENMMP9MMP2MMP8
SCHEMBL8485801 0.88 CTSS (0.46) HRH4RENMMP9MMP2MMP8

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
US-6008372-A ANTICARCINOGENIC, ANTIRESTENOSIS AND ANTIPSORIASIS AGENT WARNER-LAMBERT COMPANY (US) 1999-12-28 US disclosed