SCHEMBL9439736

SCHEMBL9439736

CCC(C)C(C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@@H](O)[C@@H](O)CC(C)C)N(C(=O)C(C)NC1CCCCC1)C(=O)N1CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.57

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 SCHEMBL7354081 0.99 REN (0.57) REN
SCHEMBL7347697 0.90 REN (0.54) REN
Dimethylamine SCHEMBL7347396 0.87 REN (0.55) REN
SCHEMBL9439731 0.85 REN (0.58) REN
Hydrochloric Acid SCHEMBL7354075 0.84 REN (0.58) REN
SCHEMBL9439739 0.81 REN (0.67) REN
SCHEMBL7347634 0.80 REN (0.69) REN
Hydrochloric Acid SCHEMBL7354086 0.80 REN (0.67) REN
SCHEMBL7347692 0.78 REN (0.57) REN
SCHEMBL7346476 0.78 REN (0.40) 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