SCHEMBL9537882

SCHEMBL9537882

Fc1ccc(Cn2c(CC3CCN(CCNc4ncccn4)CC3)nc3ncccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.41
SSTR5 P35346 2/20 0.41
GRM2 Q14416 1/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
NR4A2 P43354 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 2/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CYP2D6 P10635 1/20 0.38
HRH1 P35367 1/20 0.38

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
Oxalic Acid SCHEMBL10802671 0.95 GRIN2B (0.41) SLC6A9SSTR5GRIN2B
Oxalic Acid SCHEMBL9538518 0.95 GRIN2B (0.41) SLC6A9SSTR5GRIN2B
Oxalic Acid SCHEMBL9538513 0.95 GRIN2B (0.41) SLC6A9SSTR5GRIN2B
SCHEMBL9536807 0.90 SSTR5 (0.50) SSTR5NR4A2KCNH2HTR1AHTR2C
SCHEMBL9537190 0.87 PRMT3 (0.44) SLC6A9SSTR5GRM2KCNH2CYP2D6
SCHEMBL9535415 0.86 SLC6A9 (0.55) SLC6A9HTR3EHTR3BHTR1AHTR2C
SCHEMBL9537238 0.86 KCNH2 (0.43) SLC6A9SSTR5NR4A2KCNH2CYP2D6
SCHEMBL9536547 0.84 SSTR5 (0.52) SSTR5ACHEBACE1HTR3EHTR3B
SCHEMBL10551207 0.83 SSTR5 (0.58) SSTR5ACHEBACE1NR4A2KCNH2
SCHEMBL9538238 0.82 MEN1 (0.49) SSTR5GRM2GRIN2BCYP2D6

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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP claimed