SCHEMBL9535563

SCHEMBL9535563

CCOC(=O)N1CCC(Oc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
HRH1 P35367 12/20 0.50
CYP2D6 P10635 10/20 0.50
KCNH2 Q12809 7/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CHRM1 P11229 3/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TACR2 P21452 1/20 0.46
TACR1 P25103 1/20 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
SCHEMBL9266568 0.83 HRH1 (0.66) TP53HRH1CYP2D6KCNH2ALDH1A1
SCHEMBL9535375 0.82 HRH1 (0.55) HRH1KCNH2ALDH1A1SMN1; SMN2CHRM1
SCHEMBL6995354 0.82 LMNA (0.71) TP53HRH1CYP2D6KCNH2ALDH1A1
SCHEMBL8138397 0.81 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1SMN1; SMN2CHRM1
SCHEMBL9699718 0.81 HRH1 (0.56) TP53HRH1CYP2D6KCNH2CHRM1
SCHEMBL9699714 0.81 ALDH1A1 (0.53) TP53HRH1CYP2D6KCNH2ALDH1A1
SCHEMBL8566268 0.81 ALDH1A1 (0.42) HRH1ALDH1A1L3MBTL1SMN1; SMN2CHRM1
SCHEMBL9541863 0.81 ALDH1A1 (0.51) TP53HRH1CYP2D6KCNH2ALDH1A1
SCHEMBL9536075 0.81 HRH1 (0.62) TP53HRH1CYP2D6KCNH2LMNA
SCHEMBL9629294 0.79 LMNA (0.67) TP53HRH1CYP2D6KCNH2ALDH1A1

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