SCHEMBL7313780

SCHEMBL7313780

CCCCC(N)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
DPP7 Q9UHL4 7/20 0.51
DPP8 Q6V1X1 6/20 0.51
DPP9 Q86TI2 6/20 0.51
DPP4 P27487 3/20 0.51
SLC15A1 P46059 1/20 0.47
MME P08473 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NAAA Q02083 2/20 0.44
XIAP P98170 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43

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
SCHEMBL7313784 1.00 POLB (0.55) POLBNPSR1DPP7DPP8DPP9
SCHEMBL7375880 0.86 OPRM1 (0.51) POLBNPSR1DPP7CNR2TSHR
SCHEMBL24512887 0.85 LMNA (0.45) NPSR1DPP8DPP9DPP4CNR2
SCHEMBL13598088 0.85 MMP2 (0.56) DPP7DPP8DPP9LMNA
SCHEMBL11518823 0.85 MMP2 (0.56) DPP7DPP8DPP9LMNA
SCHEMBL24105903 0.84 POLB (0.57) POLBNPSR1MMECNR2TSHR
SCHEMBL23052552 0.84 HTR2A (0.51) NPSR1CNR2LMNATSHRXIAP
SCHEMBL7307439 0.84 CTSC (0.55) POLBNPSR1LMNATSHRXIAP
SCHEMBL7307442 0.84 CTSC (0.55) POLBNPSR1LMNATSHRXIAP
SCHEMBL11104392 0.81 DPP4 (0.50) NPSR1DPP8DPP9DPP4SLC15A1

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed