SCHEMBL9003078

SCHEMBL9003078

NN=CN1CCC[C@@H](CNC(=O)C[C@H](NC(=O)Cc2ccccc2)C(=O)N(CC(=O)O)C2CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.42
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MC4R P32245 1/20 0.35
MC3R P41968 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL9002937 0.91 F2 (0.38) F2LTA4HEPHX2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9003259 0.91 F2 (0.39) F2LTA4HEPHX2CHRNB2CHRNA4
SCHEMBL9002659 0.90 F2 (0.40) F2BCHE
SCHEMBL9002921 0.89 CASP1 (0.40) F2LTA4HEPHX2
Hydrochloric Acid SCHEMBL9003096 0.89 F2 (0.41) F2BCHE
Hydrochloric Acid SCHEMBL9002990 0.89 CASP1 (0.39) F2LTA4HEPHX2
SCHEMBL9002577 0.88 F2 (0.39) F2L3MBTL1BCHE
SCHEMBL9003091 0.87 F2 (0.53) F2
Hydrochloric Acid SCHEMBL9002532 0.87 F2 (0.40) F2L3MBTL1BCHE
SCHEMBL9002707 0.85 F2 (0.36) F2BCHE

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