SCHEMBL7313416

SCHEMBL7313416

CSCC[C@H](N[C@H](C)c1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
ANPEP P15144 1/20 0.42
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL7303559 0.87 GAA (0.44) GAATSHRANPEP
SCHEMBL1168970 0.84 POLB (0.49) POLBCTDSP1APAF1
SCHEMBL17161710 0.80 MEN1 (0.53) MAPTPOLBCTDSP1APAF1
SCHEMBL7317844 0.80 GAA (0.43) GAATSHRANPEP
SCHEMBL1643461 0.80 MEN1 (0.48) MAPTPOLBCTDSP1APAF1
SCHEMBL310099 0.80 MEN1 (0.48) MAPTPOLBCTDSP1APAF1
SCHEMBL1643467 0.80 MEN1 (0.48) MAPTPOLBCTDSP1APAF1
Hydrochloric Acid SCHEMBL310111 0.79 MEN1 (0.47) MAPTPOLBCTDSP1APAF1
Hydrochloric Acid SCHEMBL310112 0.79 MEN1 (0.47) MAPTPOLBCTDSP1APAF1
SCHEMBL7305459 0.79 MTNR1A (0.48) GAATSHRANPEP

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