SCHEMBL7313409

SCHEMBL7313409

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
CASR P41180 1/20 0.50
CTSC P53634 2/20 0.47
MMP9 P14780 2/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 1/20 0.45
EPHX1 P07099 2/20 0.45
GPR139 Q6DWJ6 1/20 0.45

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
SCHEMBL7313421 1.00 POLB (0.55) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL7303552 0.87 CTSC (0.48) CTSC
SCHEMBL1168971 0.84 POLB (0.64) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL7305453 0.82 CNR1 (0.57) CASRCTSC
SCHEMBL27518634 0.81 POLB (0.57) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL27518632 0.81 POLB (0.57) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL7317840 0.80 CTSC (0.51) CTSC
SCHEMBL9111863 0.78 POLB (0.52) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL12312074 0.78 MEN1 (0.62) POLBCTDSP1MEN1KMT2AMAPT
SCHEMBL7374474 0.78 MMP2 (0.47) CTSC

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