SCHEMBL10422428

SCHEMBL10422428

O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)C(CCOc1ccc(F)cc1)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.47
▸ PIN1 Q13526 1/20 0.43
▸ MME P08473 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ ITGB3 P05106 5/20 0.39
▸ ITGB1 P05556 5/20 0.39
▸ ITGAV P06756 5/20 0.39
▸ ITGA5 P08648 5/20 0.39
▸ IL1RN P18510 1/20 0.38
▸ ERAP2 Q6P179 1/20 0.38
▸ ERAP1 Q9NZ08 1/20 0.38
▸ GPR34 Q9UPC5 1/20 0.38
▸ JAK2 O60674 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
SCHEMBL10421546 0.93 HRH4 (0.39) HRH4PIN1MMEACECPA1
SCHEMBL10422012 0.93 ERAP2 (0.40) HRH4PIN1MMEACECPA1
SCHEMBL8481399 0.85 HRH4 (0.56) HRH4PIN1MMEACECPA1
SCHEMBL8481408 0.85 HRH4 (0.56) HRH4PIN1MMEACECPA1
SCHEMBL8481892 0.85 HRH4 (0.56) HRH4PIN1MMEACECPA1
SCHEMBL10422431 0.85 REN (0.51) HRH4PIN1MME
SCHEMBL8481391 0.82 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL8481380 0.82 HRH4 (0.64) HRH4MMEACECPA1ACE2
SCHEMBL10421548 0.82 HRH4 (0.43) HRH4PIN1MMEACECPA1
SCHEMBL10420797 0.80 CTNNB1 (0.44) HRH4PIN1

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-4904660-A HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-02-27 — — US disclosed
EP-0281316-A2 Renin inhibitors YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-07 — — EP disclosed
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