SCHEMBL8047176

SCHEMBL8047176

C=C(C)CNc1nc(N)nc(NCc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
GPR68 Q15743 5/20 0.52
ADORA2A P29274 1/20 0.51
HTR2B P41595 1/20 0.51
HTR1A P08908 1/20 0.50
GAA P10253 1/20 0.50
TPH1 P17752 2/20 0.48
APP P05067 2/20 0.47
KCNH3 Q9ULD8 1/20 0.46
HTR7 P34969 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL6727019 0.84 NPSR1 (0.74) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL3301514 0.81 NPSR1 (0.74) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL11690089 0.81 LMNA (0.45) NPSR1HTR7SMN1; SMN2
SCHEMBL29609599 0.80 NPSR1 (0.64) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL14869402 0.80 NPSR1 (0.64) NPSR1GPR68ADORA2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL9247173 0.79 NPSR1 (0.72) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL14869439 0.76 GAA (0.71) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL8058873 0.76 NPSR1 (0.59) NPSR1GPR68ADORA2AHTR2BHTR1A
SCHEMBL3298289 0.75 KCNH3 (0.73) NPSR1GAAAPPKCNH3RAD52
SCHEMBL8059713 0.74 RAB9A (0.55) NPSR1GPR68ADORA2AGAASMN1; SMN2

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
US-6159331-A Method of using bridging agent for laminates FORMICA CORPORATION (US) 2000-12-12 US disclosed