SCHEMBL8684142

SCHEMBL8684142

CCC(CO)NCCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.57
LMNA P02545 9/20 0.52
TSHR P16473 7/20 0.52
HTT P42858 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
PCSK9 Q8NBP7 1/20 0.51
JAK2 O60674 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL8577754 0.83 RXFP1 (0.63) RXFP1LMNATSHRHTTNPSR1
SCHEMBL29377329 0.82 RXFP1 (0.66) RXFP1LMNATSHRHTTNPSR1
SCHEMBL29376542 0.78 RXFP1 (0.72) RXFP1LMNATSHRHTTNPSR1
SCHEMBL8373802 0.78 RXFP1 (0.72) RXFP1LMNATSHRHTTNPSR1
SCHEMBL15497761 0.77 LMNA (0.68) LMNATSHRHTTNPSR1SMN1; SMN2
Bamifylline SCHEMBL219043 0.76 RXFP1 (0.60) RXFP1LMNATSHRHTTNPSR1
SCHEMBL684310 0.76 RXFP1 (0.66) RXFP1LMNATSHRHTTNPSR1
Bamifylline SCHEMBL637064 0.75 RXFP1 (0.58) RXFP1LMNATSHRHTTNPSR1
Bamifylline SCHEMBL1648640 0.74 RXFP1 (0.57) RXFP1LMNATSHRHTTNPSR1
SCHEMBL3099603 0.74 RXFP1 (1.00) RXFP1LMNATSHRSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO disclosed