SCHEMBL9268570

SCHEMBL9268570

N=C(N)NCCCC(N)C(=O)N(CCC(c1ccccc1)c1ccccc1)C(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.41
▸ CNR2 P34972 4/20 0.41
▸ TPSAB1 Q15661 1/20 0.37
▸ EPHX2 P34913 2/20 0.37
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ C3AR1 Q16581 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36

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
SCHEMBL9276101 0.90 CNR1 (0.39) CNR1CNR2TPSAB1EPHX2MTNR1A
SCHEMBL1388286 0.89 CNR1 (0.45) CNR1CNR2EPHX2NPY1R
SCHEMBL1389117 0.87 CNR1 (0.41) CNR1CNR2NPY1R
SCHEMBL1388355 0.83 TDP1 (0.37) CNR1CNR2TPSAB1NPY1R
SCHEMBL9200988 0.82 CYP2C9 (0.38) CNR1EPHX2NPY1R
SCHEMBL9200886 0.82 TPSAB1 (0.39) CNR1TPSAB1NPY1R
SCHEMBL9195777 0.82 CNR1 (0.32) CNR1NPY1R
SCHEMBL9268219 0.81 ADAM17 (0.41) —
SCHEMBL4650866 0.81 NPY1R (0.42) CNR1CNR2NPY1R
SCHEMBL9202531 0.81 MEN1 (0.38) CNR1NPY1R

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — WO disclosed
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