SCHEMBL10869262

SCHEMBL10869262

NNC(=O)[C@H](Cc1cscn1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.45
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ CAPN1 P07384 1/20 0.43
▸ REN P00797 6/20 0.41
▸ MME P08473 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ CTSS P25774 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ CTSB P07858 1/20 0.40
▸ MMP14 P50281 1/20 0.39
▸ GPR142 Q7Z601 1/20 0.38
▸ KLKB1 P03952 1/20 0.37

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
SCHEMBL10866334 0.91 HRH4 (0.55) HRH4MMP9MMP8MMP2CAPN1
SCHEMBL10866332 0.91 HRH4 (0.55) HRH4MMP9MMP8MMP2CAPN1
SCHEMBL10772765 0.90 HRH4 (0.44) HRH4MMP9MMP8MMP2CAPN1
SCHEMBL10722646 0.84 CASP3 (0.48) HRH4RENCTSSCTSKCTSB
SCHEMBL7289339 0.83 PSMB5 (0.47) MMP9MMP8MMP2CAPN1REN
SCHEMBL7289346 0.83 PSMB5 (0.47) MMP9MMP8MMP2CAPN1REN
SCHEMBL7286089 0.77 REN (0.53) HRH4MMP9MMP8MMP2CAPN1
SCHEMBL7286077 0.77 REN (0.53) HRH4MMP9MMP8MMP2CAPN1
SCHEMBL7291431 0.76 CTSS (0.61) HRH4MMP9MMP8MMEACE
SCHEMBL7291419 0.76 CTSS (0.61) HRH4MMP9MMP8MMEACE

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
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 — — EP disclosed
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