SCHEMBL9537640

SCHEMBL9537640

O=C(NCCN1CCC(Cc2nc3cccnc3n2Cc2ccc(F)cc2)CC1)c1ccoc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.55
SLC6A9 P48067 1/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 3/20 0.47
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
ENPP2 Q13822 3/20 0.46
RXFP1 Q9HBX9 3/20 0.45

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
SCHEMBL9536213 0.90 TP53 (0.61) TP53SLC6A9MAPTPOLBLMNA
SCHEMBL9537582 0.86 TP53 (0.53) TP53SLC6A9MAPTPOLBLMNA
SCHEMBL10552594 0.84 LMNA (0.54) TP53SLC6A9MAPTPOLBLMNA
SCHEMBL10548972 0.84 TP53 (0.54) TP53SLC6A9MAPTPOLBLMNA
SCHEMBL9539478 0.84 TP53 (0.44) TP53SLC6A9MAPTPOLBLMNA
SCHEMBL9535114 0.83 SLC6A9 (0.53) TP53SLC6A9MAPTPOLBLMNA
Oxalic Acid SCHEMBL10550818 0.82 SLC6A9 (0.51) TP53SLC6A9MAPTPOLBLMNA
Oxalic Acid SCHEMBL10550824 0.82 SLC6A9 (0.51) TP53SLC6A9MAPTPOLBLMNA
Oxalic Acid SCHEMBL10550830 0.82 SLC6A9 (0.51) TP53SLC6A9MAPTPOLBLMNA
Oxalic Acid SCHEMBL10383154 0.82 TP53 (0.44) TP53SLC6A9MAPTPOLBLMNA

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