SCHEMBL18672610

SCHEMBL18672610

C[C@H](CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 9/20 0.76
▸ MMEL1 Q495T6 6/20 0.76
▸ ACE P12821 2/20 0.59
▸ TAS1R3 Q7RTX0 1/20 0.55
▸ TAS1R1 Q7RTX1 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.54
▸ PIN1 Q13526 1/20 0.52
▸ KIFC1 Q9BW19 1/20 0.52

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
SCHEMBL12317277 1.00 MME (0.76) MMEMMEL1ACETAS1R3TAS1R1
SCHEMBL2705969 0.86 MME (1.00) MMEMMEL1ACE
SCHEMBL18672513 0.86 MME (1.00) MMEMMEL1ACE
SCHEMBL18672594 0.84 MME (0.67) MMEMMEL1ACE
SCHEMBL12317276 0.84 MME (0.67) MMEMMEL1ACE
SCHEMBL18672701 0.84 MME (0.76) MMEMMEL1ACE
SCHEMBL12317284 0.84 MME (0.76) MMEMMEL1ACE
SCHEMBL18672542 0.83 MME (0.78) MMEMMEL1ACE
SCHEMBL2707451 0.83 MME (0.78) MMEMMEL1ACE
SCHEMBL18672580 0.80 MME (0.81) MMEMMEL1ACE

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-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 — — US disclosed
Send feedback