SCHEMBL7290207

SCHEMBL7290207

CC(=O)N[C@H](CSc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.51
MTNR1B P49286 6/20 0.51
ANPEP P15144 1/20 0.51
SIRT5 Q9NXA8 1/20 0.48
PRNP P04156 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PLA2G10 O15496 2/20 0.45
CNR2 P34972 1/20 0.44
LMNA P02545 1/20 0.44
STAT3 P40763 1/20 0.44
TACR1 P25103 1/20 0.44
PLA2G2A P14555 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PAM P19021 1/20 0.43

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
SCHEMBL3317629 0.85 MTNR1A (0.69) MTNR1AMTNR1BPRNPNPSR1RXFP1
SCHEMBL4542367 0.85 MTNR1A (0.69) MTNR1AMTNR1BPRNPNPSR1RXFP1
SCHEMBL7250898 0.82 PPARA (0.57) ANPEP
SCHEMBL5228193 0.82 PPARA (0.57) ANPEP
SCHEMBL7289392 0.82 PPARA (0.57) ANPEP
SCHEMBL27218106 0.82 PRNP (0.49) MTNR1AMTNR1BPRNPNPSR1RXFP1
SCHEMBL27218104 0.82 PRNP (0.49) MTNR1AMTNR1BPRNPNPSR1RXFP1
SCHEMBL11552778 0.81 MTNR1A (0.54) MTNR1AMTNR1BPRNPNPSR1RXFP1
SCHEMBL30354385 0.81 PRNP (0.46) MTNR1AMTNR1BPRNPNPSR1RXFP1
SCHEMBL5226937 0.80 PPARA (0.55) TACR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5905077-A Inhibitors of HIV protease useful for the treatment of AIDS ELI LILLY AND COMPANY (US) 1999-05-18 US disclosed
EP-0604185-B1 Inhibitors of HIV protease useful for the treatment of AIDS LILLY CO ELI (US) 1999-03-24 EP disclosed
US-5733906-A Inhibitors of HIV Protease useful for the treatment of Aids ELI LILLY AND COMPANY (US) 1998-03-31 US disclosed
EP-0604185-A1 Inhibitors of HIV protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1994-06-29 EP disclosed