SCHEMBL7307776

SCHEMBL7307776

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.72
F2 P00734 6/20 0.66
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
P2RX7 Q99572 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
USP30 Q70CQ3 2/20 0.51
UCHL1 P09936 1/20 0.50
EP300 Q09472 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL7989544 0.93 ALDH1A1 (0.66) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL17056181 0.88 ALDH1A1 (0.61) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL29513950 0.88 ALDH1A1 (0.61) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL13374829 0.87 ALDH1A1 (0.74) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL30630567 0.87 ALDH1A1 (0.55) ALDH1A1F2P2RX7KMT2A
SCHEMBL6508896 0.87 ALDH1A1 (0.64) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL5173012 0.87 ALDH1A1 (0.64) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL4366597 0.87 ALDH1A1 (0.64) ALDH1A1F2LMNANPSR1MEN1
SCHEMBL7314949 0.86 ALDH1A1 (0.59) ALDH1A1F2LMNANPSR1P2RX7
SCHEMBL893264 0.82 ALDH1A1 (0.54) ALDH1A1F2LMNANPSR1P2RX7

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