SCHEMBL9540313

SCHEMBL9540313

O=C(O)c1cccnc1CCN1CCC(Cc2nc3cccnc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.53
ENPP2 Q13822 9/20 0.49
LMNA P02545 4/20 0.47
TP53 P04637 4/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 2/20 0.44
POLB P06746 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
SCHEMBL10547724 0.85 SLC6A9 (0.55) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9535785 0.84 SLC6A9 (0.58) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9538693 0.84 SLC6A9 (0.52) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9535970 0.83 SLC6A9 (0.55) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9537085 0.82 SLC6A9 (0.58) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9535367 0.82 SLC6A9 (0.58) SLC6A9ENPP2LMNATP53MAPT
Oxalic Acid SCHEMBL10549054 0.82 SLC6A9 (0.53) SLC6A9ENPP2LMNATP53MAPT
Oxalic Acid SCHEMBL10549061 0.82 SLC6A9 (0.53) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9537582 0.82 TP53 (0.53) SLC6A9ENPP2LMNATP53MAPT
SCHEMBL9537811 0.82 SLC6A9 (0.60) SLC6A9ENPP2LMNATP53MAPT

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