SCHEMBL9540573

SCHEMBL9540573

Cc1nc2ccccc2c(=O)n1CCN1CCC(Cc2nc3cccnc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.52
GAA P10253 1/20 0.49
ENPP2 Q13822 6/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.44
CCR5 P51681 1/20 0.42
HTR1A P08908 2/20 0.42
HTR7 P34969 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GFER P55789 1/20 0.41

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
SCHEMBL9538447 0.89 GAA (0.52) GAATP53MAPTLMNAHTR1A
SCHEMBL9537494 0.86 SLC6A9 (0.48) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9536214 0.86 SLC18A2 (0.53) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9538129 0.85 GAA (0.51) SLC6A9GAAMAPTLMNAHTR1A
SCHEMBL9536553 0.84 HTR2A (0.54) SLC6A9ENPP2MAPTLMNAHTR1A
SCHEMBL9535367 0.83 SLC6A9 (0.58) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9537811 0.83 SLC6A9 (0.60) SLC6A9GAAENPP2TP53MAPT
SCHEMBL9537085 0.82 SLC6A9 (0.58) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9535785 0.82 SLC6A9 (0.58) SLC6A9ENPP2TP53MAPTLMNA
SCHEMBL9535970 0.81 SLC6A9 (0.55) SLC6A9ENPP2TP53MAPTLMNA

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 4 patents. 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 disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
US-4695575-A ANTIHISTAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 1987-09-22 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed