SCHEMBL8612664

SCHEMBL8612664

CNC(CCCNC(=N)N)C(=O)NC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.44
▸ CNR2 P34972 4/20 0.44
▸ NPY1R P25929 4/20 0.43
▸ C3AR1 Q16581 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ NAAA Q02083 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL8119401 0.86 CNR1 (0.48) CNR1CNR2NPY1RC3AR1
SCHEMBL8120358 0.86 CNR1 (0.51) CNR1CNR2C3AR1
SCHEMBL8068044 0.84 CNR1 (0.41) CNR1CNR2NPY1RC3AR1NPY5R
SCHEMBL1388522 0.84 CNR1 (0.47) CNR1CNR2
SCHEMBL8587072 0.83 NPY1R (0.52) NPY1RNPY5R
SCHEMBL3817640 0.83 NPY1R (0.51) CNR1CNR2NPY1RNPY5R
SCHEMBL9201253 0.82 CTSD (0.45) CNR1CNR2NPY1RNPY5RMEN1
SCHEMBL9201265 0.82 CTSD (0.45) CNR1CNR2NPY1RNPY5RMEN1
SCHEMBL5057899 0.82 NPY1R (0.53) NPY1RNPY5R
SCHEMBL1388524 0.81 NPY1R (0.49) CNR1CNR2NPY1RC3AR1NPY5R

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 — — EP claimed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 — — WO claimed
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