SCHEMBL7307221

SCHEMBL7307221

CCSC[C@@H](NC(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.38
EPHX1 P07099 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
METAP2 P50579 3/20 0.36
BCAT2 O15382 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP1 P53582 2/20 0.36
HPGDS O60760 1/20 0.36
PKM P14618 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL7317031 0.77 MMP9 (0.46) LMNAALDH1A1HPGDS
SCHEMBL7303559 0.77 GAA (0.44) LMNATSHRGAAALDH1A1KMT2A
SCHEMBL7307216 0.75 CTSC (0.47) LMNATSHRNPSR1METAP2KMT2A
SCHEMBL11442593 0.73 ALDH1A1 (0.49) LMNANPSR1BCAT2MAPTALDH1A1
SCHEMBL7316408 0.71 LMNA (0.50) LMNATSHREPHX1NPSR1BCAT2
SCHEMBL7314848 0.70 MEN1 (0.52) LMNATSHREPHX1ALDH1A1KMT2A
SCHEMBL27488761 0.70 MEN1 (0.52) LMNATSHREPHX1ALDH1A1KMT2A
SCHEMBL7316181 0.70 MEN1 (0.52) LMNATSHREPHX1ALDH1A1KMT2A
SCHEMBL4956720 0.70 ACE (0.49)
SCHEMBL17161710 0.69 MEN1 (0.53) MAPTALDH1A1HPGDKMT2A

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