SCHEMBL7170488

SCHEMBL7170488

CCCC(N)(CCO)n1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.58
KMT2A Q03164 3/20 0.48
TSHR P16473 6/20 0.48
LMNA P02545 6/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 2/20 0.46
GLA P06280 1/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
PCSK9 Q8NBP7 1/20 0.45
USP2 O75604 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
XBP1 P17861 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
SCHEMBL7170489 0.79 RXFP1 (0.57) RXFP1KMT2ATSHRLMNAHTT
SCHEMBL3099603 0.75 RXFP1 (1.00) RXFP1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL29376542 0.72 RXFP1 (0.72) RXFP1KMT2ATSHRLMNAHTT
SCHEMBL8577754 0.71 RXFP1 (0.63) RXFP1KMT2ATSHRLMNAHTT
Bamifylline SCHEMBL219043 0.71 RXFP1 (0.60) RXFP1KMT2ATSHRLMNAHTT
SCHEMBL8683232 0.70 RXFP1 (0.58) RXFP1KMT2ATSHRLMNAHTT
Bamifylline SCHEMBL637064 0.70 RXFP1 (0.58) RXFP1KMT2ATSHRLMNAHTT
SCHEMBL8373802 0.69 RXFP1 (0.72) RXFP1KMT2ATSHRLMNAHTT
SCHEMBL8373801 0.69 RXFP1 (0.72) RXFP1KMT2ATSHRLMNAHTT
Bamifylline SCHEMBL1648640 0.69 RXFP1 (0.57) RXFP1KMT2ATSHRLMNAHTT

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-2003103675-A2 COMBINATION TREATMENTS FOR PURINOCEPTOR-RELATED DISORDERS ENDACEA, INC. (US) 2003-12-18 WO disclosed