SCHEMBL6118907

SCHEMBL6118907

O=C(O)CC1(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C(=O)N2CCCC2C(=O)O)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.52
MMEL1 Q495T6 1/20 0.52
TSHR P16473 1/20 0.52
ACE P12821 14/20 0.52
ACE2 Q9BYF1 9/20 0.52
LTA4H P09960 2/20 0.48

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
SCHEMBL3701543 1.00 MME (0.52) MMEMMEL1TSHRACEACE2
SCHEMBL7543519 1.00 MME (0.52) MMEMMEL1TSHRACEACE2
SCHEMBL7540259 0.96 ACE (0.55) TSHRACEACE2LTA4H
SCHEMBL3699233 0.91 MME (0.51) MMEMMEL1TSHRACEACE2
SCHEMBL3704086 0.89 ACE (0.53) MMEMMEL1TSHRACEACE2
SCHEMBL3695367 0.89 ACE (0.49) MMEMMEL1TSHRACEACE2
SCHEMBL3704084 0.89 ACE (0.53) MMEMMEL1TSHRACEACE2
SCHEMBL7544573 0.89 ACE (0.49) MMEMMEL1TSHRACEACE2
SCHEMBL7536821 0.89 MMEL1 (0.47) MMEMMEL1TSHRACEACE2
SCHEMBL3695364 0.89 ACE (0.49) MMEMMEL1TSHRACEACE2

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-2640689-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
WO-2012065953-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed