SCHEMBL10866334

SCHEMBL10866334

O=C(NC(Cc1cscn1)C(=O)O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.55
▸ MME P08473 2/20 0.49
▸ ACE P12821 2/20 0.49
▸ CPA1 P15085 1/20 0.49
▸ ACE2 Q9BYF1 1/20 0.49
▸ CAPN1 P07384 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ REN P00797 1/20 0.43
▸ MMP9 P14780 2/20 0.42
▸ MMP8 P22894 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ GPR142 Q7Z601 2/20 0.42
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ECE1 P42892 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
SCHEMBL10866332 1.00 HRH4 (0.55) HRH4MMEACECPA1ACE2
SCHEMBL10869262 0.91 HRH4 (0.45) HRH4MMEACECPA1ACE2
SCHEMBL7286077 0.85 REN (0.53) HRH4CAPN1RENMMP9MMP8
SCHEMBL7286089 0.85 REN (0.53) HRH4CAPN1RENMMP9MMP8
SCHEMBL7291431 0.83 CTSS (0.61) HRH4MMEACECPA1ACE2
SCHEMBL7291419 0.83 CTSS (0.61) HRH4MMEACECPA1ACE2
SCHEMBL10772765 0.82 HRH4 (0.44) HRH4CAPN1RENMMP9MMP8
SCHEMBL8481408 0.81 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481399 0.81 HRH4 (0.56) HRH4MMEACECPA1ACE2
SCHEMBL8481892 0.81 HRH4 (0.56) HRH4MMEACECPA1ACE2

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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