SCHEMBL8725915

SCHEMBL8725915

CC(C)(C)OC(=O)C=NCC(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.N=C(N)c1ccc(C(N)=O)cn1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.30
OPRK1 P41145 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
SCHEMBL8933077 0.93
SCHEMBL8933278 0.92 OPRK1 (0.32) OPRK1
SCHEMBL8722615 0.90 HRH3 (0.34) OPRK1
SCHEMBL8722553 0.86
SCHEMBL8725919 0.85
SCHEMBL6485829 0.84 GPR119 (0.32) OPRM1OPRK1
SCHEMBL6485866 0.84 ITGB3 (0.33) OPRM1OPRK1
SCHEMBL8725715 0.84 ITGB3 (0.34)
Acetic Acid SCHEMBL6477357 0.84 F2 (0.33)
SCHEMBL8933238 0.83 ITGB3 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed