SCHEMBL7394226

SCHEMBL7394226

C[C@H](NC(=O)C[C@@H](CC1CC1)C(=O)N(CC(=O)N(C)C)[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CC(C)(C)N(C)C1=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MMP2 P08253 2/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ BMP1 P13497 1/20 0.34
▸ PRCP P42785 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PSEN1 P49768 2/20 0.32
▸ PSEN2 P49810 2/20 0.32
▸ APH1B Q8WW43 2/20 0.32
▸ NCSTN Q92542 2/20 0.32
▸ APH1A Q96BI3 2/20 0.32
▸ PSENEN Q9NZ42 2/20 0.32
▸ USP19 O94966 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ EPHX1 P07099 2/20 0.31
▸ FFAR2 O15552 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CCR5 P51681 1/20 0.31

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
SCHEMBL7389874 0.88 REN (0.39) FFAR2
SCHEMBL7394314 0.80 PSEN1 (0.40) KMT2AMEN1MMP2MMP3BMP1
SCHEMBL7389599 0.80 PSEN1 (0.40) KMT2AMEN1MMP2MMP3BMP1
SCHEMBL7392036 0.80 REN (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7389062 0.74 PSEN1 (0.42) KMT2AMEN1MMP2MMP3BMP1
SCHEMBL7383641 0.73 REN (0.47) KMT2AMEN1PSEN1PSEN2APH1B
SCHEMBL7388080 0.72 REN (0.44) KMT2AMEN1MMP2FFAR2
SCHEMBL7385909 0.72 REN (0.47) —
SCHEMBL7390894 0.71 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7388396 0.71 REN (0.39) KMT2AMEN1MMP2MMP3BMP1

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
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 — — EP claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 — — WO claimed
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