SCHEMBL9439729

SCHEMBL9439729

CCC(C)C(NC(=O)C(C)NC1(C(=O)N2CCN(C)CC2)CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.61
ELANE P08246 4/20 0.41
CTSD P07339 5/20 0.40
F2 P00734 1/20 0.36

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
Hydrochloric Acid SCHEMBL7354069 0.99 REN (0.61) RENELANECTSDF2
SCHEMBL7347690 0.89 REN (0.58) RENELANECTSDF2
SCHEMBL7347632 0.86 REN (0.67) RENELANECTSDF2
SCHEMBL7358144 0.85 REN (0.54) RENELANECTSD
SCHEMBL9439739 0.81 REN (0.67) RENELANECTSD
Hydrochloric Acid SCHEMBL7354086 0.81 REN (0.67) RENELANECTSD
SCHEMBL7347641 0.77 REN (0.72) RENELANECTSD
SCHEMBL7346470 0.75 REN (0.43) RENCTSD
SCHEMBL9439736 0.75 REN (0.57) REN
Hydrochloric Acid SCHEMBL7354081 0.74 REN (0.57) REN

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
US-5338726-A Hypotensive agents, antiulcer agents ABBOTT LABORATORIES (US) 1994-08-16 US claimed