SCHEMBL11014616

SCHEMBL11014616

CC[C@H](C)[C@H](NC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.35
▸ F10 P00742 3/20 0.35
▸ F12 P00748 3/20 0.35
▸ F11 P03951 3/20 0.35
▸ PRSS1 P07477 3/20 0.35
▸ PRSS2 P07478 3/20 0.35
▸ F7 P08709 3/20 0.35
▸ PRSS3 P35030 3/20 0.35
▸ F9 P00740 1/20 0.35
▸ ACE P12821 2/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ REN P00797 3/20 0.33
▸ F2RL1 P55085 1/20 0.33
▸ GRB2 P62993 1/20 0.33

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
SCHEMBL27756043 0.82 PARP1 (0.33) F2PRSS1PARP1
SCHEMBL27776882 0.81 SMN1; SMN2 (0.33) F2PRSS1PARP1
SCHEMBL16359592 0.79 ACE (0.39) ACEGRB2
SCHEMBL11012174 0.78 ACE (0.43) ACEREN
SCHEMBL10431341 0.78 ACE (0.33) ACEREN
SCHEMBL11009837 0.78 ACE (0.34) ACERENGRB2
SCHEMBL31020879 0.77 ACE (0.38) ACEREN
SCHEMBL13363654 0.76 ACE (0.49) ACERENGRB2
SCHEMBL31020877 0.75 ACE (0.47) ACEGRB2
SCHEMBL8252710 0.75 REN (0.38) ACERENGRB2

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-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 — — EP disclosed
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