SCHEMBL9002937

SCHEMBL9002937

NN=CN1CCC[C@@H](CNC(=O)C[C@H](NC(=O)NCc2ccccc2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.38
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
CCR5 P51681 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM1A O60341 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
MMP1 P03956 1/20 0.33
FCER2 P06734 1/20 0.33

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 SCHEMBL9003259 0.99 F2 (0.39) F2DPP4DPP8CCR5CHRNB2
SCHEMBL9003078 0.91 F2 (0.42) F2CHRNB2CHRNA4LTA4HEPHX2
SCHEMBL9002577 0.90 F2 (0.39) F2
Hydrochloric Acid SCHEMBL9003101 0.90 F2 (0.37) F2
SCHEMBL9002707 0.90 F2 (0.36) F2
Hydrochloric Acid SCHEMBL9002532 0.89 F2 (0.40) F2
SCHEMBL9002659 0.89 F2 (0.40) F2ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9002953 0.89 F2 (0.36) F2
SCHEMBL9002921 0.89 CASP1 (0.40) F2DPP4DPP8ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9003096 0.88 F2 (0.41) 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