SCHEMBL10852007

SCHEMBL10852007

NC(C1CCNCC1)C(CO)C1COc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA1A P35348 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
DPP4 P27487 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ALOX5 P09917 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD1 P21728 1/20 0.36
TBXA2R P21731 1/20 0.36
SLC6A2 P23975 1/20 0.36
DRD3 P35462 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
SCHEMBL10857472 0.81 LMNA (0.42) LMNAMAPTSMN1; SMN2NPSR1ADRA1A
SCHEMBL7440773 0.74 CA1 (0.50) LMNAMAPTSMN1; SMN2NPSR1ADRA1A
SCHEMBL7439179 0.72 MAPT (0.43) LMNAMAPTSMN1; SMN2NPSR1NISCH
SCHEMBL9302549 0.72 LMNA (0.43) LMNAMAPTSMN1; SMN2NPSR1ADRA1A
SCHEMBL7434948 0.70 LMNA (0.51) LMNAMAPTSMN1; SMN2NPSR1ADRA1A
SCHEMBL7434496 0.69 LMNA (0.43) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL10991482 0.69 LMNA (0.41) LMNAMAPTSMN1; SMN2NPSR1ADRA1A
SCHEMBL7425936 0.69 LMNA (0.41) LMNAMAPTSMN1; SMN2NPSR1SLC6A2
SCHEMBL10832049 0.68 LMNA (0.50) LMNAMAPTSMN1; SMN2NPSR1ADRA1A
SCHEMBL4461156 0.66 LMNA (0.54) LMNAMAPTSMN1; SMN2NPSR1ADRA1A

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
US-4569933-A Antihypertensive substituted derivatives of 2,5-diamino 1,4-diazole CORNU PIERRE JEAN 1986-02-11 US disclosed