SCHEMBL9538462

SCHEMBL9538462

Cc1ccc(Cn2c(CC3CCN(CC#N)CC3)nc3cccnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.45
ENPP2 Q13822 1/20 0.45
THRB P10828 2/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 3/20 0.44
SLC6A9 P48067 1/20 0.44
GPR4 P46093 1/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL9536863 0.87 TP53 (0.54) TP53ENPP2THRBLMNAPOLB
SCHEMBL9535843 0.82 KCNH2 (0.54) TP53ENPP2THRBLMNAPOLB
SCHEMBL9537927 0.80 LMNA (0.55) TP53ENPP2LMNASLC6A9MAPT
SCHEMBL9539173 0.80 SLC6A9 (0.49) LMNASLC6A9MAPT
SCHEMBL9537203 0.79 TP53 (0.47) TP53ENPP2THRBLMNAPOLB
SCHEMBL9535367 0.77 SLC6A9 (0.58) TP53ENPP2LMNASLC6A9MAPT
SCHEMBL9540167 0.77 SLC6A9 (0.56) TP53ENPP2THRBLMNAPOLB
SCHEMBL9536724 0.77 LMNA (0.58) TP53ENPP2LMNAMAPT
SCHEMBL9535432 0.76 TP53 (0.40) TP53ENPP2THRBLMNAPOLB
SCHEMBL13559753 0.76 KCNH2 (0.55) TP53ENPP2THRBLMNAPOLB

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