SCHEMBL9003157

SCHEMBL9003157

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
TRPA1 O75762 1/20 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 SCHEMBL9002779 0.99 F2 (0.33) F2DPP4DPP8
Hydrochloric Acid SCHEMBL9002900 0.99 F2 (0.33) F2DPP4DPP8
SCHEMBL9002707 0.85 F2 (0.36) F2
Hydrochloric Acid SCHEMBL9002953 0.84 F2 (0.36) F2
SCHEMBL9002756 0.83 F2 (0.34) F2
SCHEMBL9002659 0.83 F2 (0.40) F2
SCHEMBL7390858 0.82 F2 (0.43) F2
Hydrochloric Acid SCHEMBL7395562 0.82 F2 (0.36) F2
Hydrochloric Acid SCHEMBL9003096 0.82 F2 (0.41) F2
SCHEMBL9002917 0.82 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