SCHEMBL9538693

SCHEMBL9538693

NC(=O)CN1CCC(Cc2nc3cccnc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.52
TP53 P04637 4/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 3/20 0.51
ENPP2 Q13822 7/20 0.50
POLB P06746 3/20 0.47
THRB P10828 3/20 0.47
RXFP1 Q9HBX9 2/20 0.46

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
SCHEMBL9537582 0.87 TP53 (0.53) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9537085 0.86 SLC6A9 (0.58) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9537249 0.86 SCN9A (0.53) TP53
SCHEMBL9535785 0.86 SLC6A9 (0.58) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9535367 0.85 SLC6A9 (0.58) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9540167 0.85 SLC6A9 (0.56) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9540313 0.84 SLC6A9 (0.53) SLC6A9TP53MAPTLMNAENPP2
Fumaric Acid SCHEMBL10550969 0.83 TP53 (0.50) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9535114 0.83 SLC6A9 (0.53) SLC6A9TP53MAPTLMNAENPP2
SCHEMBL9537811 0.83 SLC6A9 (0.60) SLC6A9TP53MAPTLMNAENPP2

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