SCHEMBL10422012

SCHEMBL10422012

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.40
▸ ERAP1 Q9NZ08 3/20 0.40
▸ IL1RN P18510 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ REN P00797 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MME P08473 1/20 0.37
▸ ACE P12821 1/20 0.37
▸ CPA1 P15085 1/20 0.37
▸ ACE2 Q9BYF1 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ MMP9 P14780 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KCNA5 P22460 1/20 0.35

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
SCHEMBL10422428 0.93 HRH4 (0.47) ERAP2ERAP1IL1RNHRH4MME
SCHEMBL10421546 0.90 HRH4 (0.39) ERAP2ERAP1IL1RNHRH4SCN9A
SCHEMBL8486193 0.87 HRH4 (0.45) ERAP2ERAP1HRH4RENMME
SCHEMBL8486197 0.87 HRH4 (0.45) ERAP2ERAP1HRH4RENMME
SCHEMBL10422014 0.86 REN (0.53) SCN9AREN
SCHEMBL10520319 0.82 HRH4 (0.44) ERAP2ERAP1HRH4RENMMP9
SCHEMBL10421238 0.81 REN (0.44) REN
SCHEMBL10422431 0.78 REN (0.51) HRH4SCN9ARENMMEPIN1
SCHEMBL7380910 0.78 KMT2A (0.45) KMT2A
SCHEMBL8481399 0.78 HRH4 (0.56) HRH4MEN1KMT2AMMEACE

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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