SCHEMBL7104014

SCHEMBL7104014

CCS(=O)(=O)NCc1ccc(CN2CC(C3CCCCC3)C[C@H]2C(=O)NC(=O)[C@H](C)N)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
ACE P12821 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 1/20 0.34
XIAP P98170 3/20 0.33
CYP3A4 P08684 3/20 0.33
F2 P00734 2/20 0.33
ALOX15 P16050 1/20 0.33
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7100961 0.85 XIAP (0.35) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7104093 0.83 NPSR1 (0.34) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7144656 0.83 F2 (0.45) F2PTGER4
Hydrochloric Acid SCHEMBL7144181 0.82 NPSR1 (0.34) ACEMEN1KMT2AUSP2LMNA
Hydrochloric Acid SCHEMBL7148146 0.82 F2 (0.46) F2PTGER4
SCHEMBL7101675 0.81 PTGER4 (0.35) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7362147 0.80
SCHEMBL7252651 0.79 NPSR1 (0.32) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7139402 0.78 PTGER4 (0.36) ACEMEN1KMT2AUSP2LMNA
SCHEMBL7465555 0.78 MC3R (0.31) CYP3A4ALOX15ALDH1A1SMN1; SMN2

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
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed