SCHEMBL9002707

SCHEMBL9002707

NN=CN1CCC[C@@H](CNC(=O)C[C@H](NC(=O)NCC2CCCCC2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.36
EPHX1 P07099 1/20 0.30
BCHE P06276 3/20 0.30

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 SCHEMBL9002953 0.99 F2 (0.36) F2EPHX1
SCHEMBL9002937 0.90 F2 (0.38) F2
SCHEMBL9002620 0.90 F2 (0.32) F2
Hydrochloric Acid SCHEMBL9002624 0.89 F2 (0.33) F2
Hydrochloric Acid SCHEMBL9003259 0.89 F2 (0.39) F2
SCHEMBL9002917 0.89 F2 (0.34) F2
Hydrochloric Acid SCHEMBL9002987 0.88 F2 (0.35) F2
SCHEMBL9002577 0.87 F2 (0.39) F2BCHE
Hydrochloric Acid SCHEMBL9002532 0.86 F2 (0.40) F2BCHE
SCHEMBL9002756 0.86 F2 (0.34) F2

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-5559232-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-09-24 US disclosed