SCHEMBL7309451

SCHEMBL7309451

CSCC[C@H](NC(=O)OC(C)(C)C)c1nnnn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
LMNA P02545 4/20 0.58
TSHR P16473 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HSD17B10 Q99714 2/20 0.58
GHSR Q92847 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
FPR1 P21462 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7309462 1.00 ALDH1A1 (0.58) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL1414267 0.77 GHSR (0.51) LMNAGHSRHDAC1HDAC6
SCHEMBL1414271 0.77 GHSR (0.51) LMNAGHSRHDAC1HDAC6
SCHEMBL7309458 0.77 ALDH1A1 (0.43) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL14102903 0.73 GHSR (0.60) GHSRMAPT
SCHEMBL7314092 0.73 PAX8 (0.48) ALDH1A1LMNATSHRGHSRNPSR1
SCHEMBL7314086 0.73 PAX8 (0.48) ALDH1A1LMNATSHRGHSRNPSR1
SCHEMBL6600601 0.71 GHSR (0.51) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL17018566 0.71 GHSR (0.58) GHSR
SCHEMBL7515055 0.70 CTSS (0.56) ALDH1A1LMNATSHRMEN1KMT2A

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