SCHEMBL7170489

SCHEMBL7170489

CCC(N)(CCO)Cn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.57
ALDH1A1 P00352 3/20 0.49
TSHR P16473 8/20 0.49
LMNA P02545 7/20 0.49
HTT P42858 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 7/20 0.48
PCSK9 Q8NBP7 1/20 0.48
JAK2 O60674 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 1/20 0.48
GLA P06280 1/20 0.47

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
SCHEMBL7170488 0.79 RXFP1 (0.58) RXFP1ALDH1A1TSHRLMNAHTT
SCHEMBL29376542 0.78 RXFP1 (0.72) RXFP1ALDH1A1TSHRLMNAHTT
SCHEMBL8577754 0.76 RXFP1 (0.63) RXFP1ALDH1A1TSHRLMNAHTT
Bamifylline SCHEMBL219043 0.76 RXFP1 (0.60) RXFP1ALDH1A1TSHRLMNAHTT
SCHEMBL8373802 0.75 RXFP1 (0.72) RXFP1ALDH1A1TSHRLMNAHTT
Bamifylline SCHEMBL637064 0.75 RXFP1 (0.58) RXFP1ALDH1A1TSHRLMNAHTT
Bamifylline SCHEMBL1648640 0.74 RXFP1 (0.57) RXFP1ALDH1A1TSHRLMNAHTT
SCHEMBL3099603 0.74 RXFP1 (1.00) RXFP1TSHRLMNASMN1; SMN2KMT2A
SCHEMBL684310 0.74 RXFP1 (0.66) RXFP1ALDH1A1TSHRLMNAHTT
SCHEMBL29377329 0.74 RXFP1 (0.66) RXFP1ALDH1A1TSHRLMNAHTT

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