SCHEMBL9536724

SCHEMBL9536724

COc1ccc(Cn2c(CC3CCN(Cc4ccccc4)CC3)nc3cccnc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ENPP2 Q13822 3/20 0.56
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9537927 0.91 LMNA (0.55) LMNAENPP2TP53MAPTSMN1; SMN2
SCHEMBL9536863 0.89 TP53 (0.54) LMNAENPP2TP53MAPTHTT
SCHEMBL9535367 0.87 SLC6A9 (0.58) LMNAENPP2TP53MAPT
SCHEMBL9537835 0.86 SSTR5 (0.59) LMNATP53MAPTHTTSMN1; SMN2
SCHEMBL9539234 0.85 LMNA (0.58) LMNAENPP2TP53MAPTHTT
SCHEMBL9535787 0.84 KDM4E (0.55) LMNAENPP2TP53MAPTSMN1; SMN2
SCHEMBL9538036 0.82 CCR3 (0.48) LMNAENPP2TP53MAPTSMN1; SMN2
SCHEMBL9535014 0.82 SLC6A9 (0.55) LMNAENPP2HTTSMN1; SMN2
SCHEMBL9537207 0.81 SLC6A9 (0.47) LMNAENPP2TP53MAPTHTT
SCHEMBL9536027 0.81 SLC6A9 (0.67) LMNAENPP2TP53MAPTSIGMAR1

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