SCHEMBL9681383

SCHEMBL9681383

CCc1cc(NCc2nc3c(cc2OC)CCC3)c(=O)[nH]c1CO

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
MAPT P10636 2/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
C5AR1 P21730 6/20 0.33
KDM4E B2RXH2 2/20 0.32
APAF1 O14727 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
P2RX7 Q99572 3/20 0.32
HSD17B1 P14061 1/20 0.31

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
SCHEMBL9682084 0.98 MAPT (0.36) NPC1MAPTPOLBNPSR1RXFP1
SCHEMBL9681437 0.86 NPSR1 (0.34) NPC1MAPTNPSR1RXFP1KDM4E
SCHEMBL9846183 0.85 RXFP1 (0.38) NPC1MAPTPOLBNPSR1RXFP1
SCHEMBL9680861 0.85 SLC2A1 (0.38) MAPTPOLBKDM4EAPAF1RECQL
SCHEMBL9680321 0.84 NPSR1 (0.36) NPC1MAPTPOLBNPSR1RXFP1
SCHEMBL9680359 0.82 MAPT (0.34) MAPTKDM4EAPAF1RECQL
SCHEMBL9682064 0.82 MAPT (0.34) MAPTKDM4EAPAF1RECQLP2RX7
SCHEMBL9681442 0.80 KDM4E (0.36) MAPTKDM4EAPAF1RECQL
SCHEMBL9681915 0.79 PDE10A (0.40) NPC1MAPTKDM4EAPAF1RECQL
SCHEMBL9682808 0.78 PDE10A (0.34) MAPTPOLBKDM4EAPAF1RECQL

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-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP claimed
EP-0481802-A1 Hydroxylated inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1992-04-22 EP disclosed