SCHEMBL7943694

SCHEMBL7943694

CC(C)(C)[C@H](Nc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.46
▸ HCRTR2 O43614 1/20 0.44
▸ DPP4 P27487 2/20 0.44
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43
▸ ACE P12821 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ STAT6 P42226 5/20 0.41
▸ STAT5A P42229 1/20 0.41
▸ STAT5B P51692 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL7942699 0.88 THRB (0.46) ELANEDPP4ALDH1A1
SCHEMBL10069866 0.81 EPHX2 (0.43) —
Trifluoroacetic Acid SCHEMBL9551619 0.81 ACE (0.47) ELANEDPP4ERAP2ERAP1LNPEP
SCHEMBL1688344 0.80 EPHX2 (0.42) —
SCHEMBL1688348 0.80 SPHK1 (0.43) ELANEHCRTR2DPP4ALDH1A1
SCHEMBL7987507 0.80 CNR2 (0.47) RAB9AALDH1A1
SCHEMBL7935872 0.79 ELANE (0.45) ELANEHCRTR2RAB9A
SCHEMBL20388035 0.78 DPP4 (0.40) ELANEDPP4ACE
SCHEMBL7944997 0.78 DPP4 (0.40) ELANEDPP4ACE
SCHEMBL26616459 0.78 ERAP2 (0.47) ERAP2ERAP1LNPEPACESTAT6

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
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 — — WO disclosed
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