SCHEMBL6664323

SCHEMBL6664323

COc1ccc(NC(=O)OCC2CCN(C(=O)OCc3ccccc3Cl)CC2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ HPGD P15428 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ENPP2 Q13822 1/20 0.45
▸ CHRM3 P20309 6/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 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
SCHEMBL6681189 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTHPGDNPSR1
SCHEMBL6664310 0.81 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1CHRM3KMT2A
SCHEMBL6665368 0.81 NPSR1 (0.52) ALDH1A1HPGDNPSR1CHRM3KMT2A
SCHEMBL6669041 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHPGDNPSR1CHRM3
SCHEMBL6664922 0.80 NPSR1 (0.48) ALDH1A1HPGDNPSR1CHRM3KMT2A
SCHEMBL6665392 0.79 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1CHRM3KMT2A
SCHEMBL6680489 0.74 KMT2A (0.49) LMNAHTTNPSR1CHRM3KMT2A
SCHEMBL6663062 0.74 GAA (0.48) ALDH1A1SMN1; SMN2CHRM3KMT2A
SCHEMBL6663170 0.74 CHRM3 (0.67) ALDH1A1CHRM3
SCHEMBL6665574 0.73 MEN1 (0.57) ALDH1A1LMNASMN1; SMN2HTTKMT2A

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
WO-2004014425-A1 ACTIVATORS OF SMALL CONDUCTANCE CALCIUM ACTIVATED POTASSIUM CHANNELS AND USE THEREOF GLAXO GROUP LIMITED (GB) 2004-02-19 — — WO disclosed
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