SCHEMBL9536973

SCHEMBL9536973

CC1CN(CCNc2ncccn2)CCC1Oc1nc2ccccc2n1Cc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.47
HRH1 P35367 10/20 0.47
CYP2D6 P10635 9/20 0.47
KCNH2 Q12809 7/20 0.45
CHRM1 P11229 4/20 0.45
SSTR5 P35346 4/20 0.44
TACR2 P21452 2/20 0.44
TACR1 P25103 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
LMNA P02545 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL10549770 1.00 EED (0.47) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL10549784 1.00 EED (0.47) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL10798652 0.86 HRH1 (0.49) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL10549456 0.86 HRH1 (0.49) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL9536666 0.86 HRH1 (0.49) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL9629611 0.79 EED (0.68) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL10799113 0.77 LMNA (0.51) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL9536807 0.77 SSTR5 (0.50) EEDHRH1CYP2D6KCNH2CHRM1
SCHEMBL10548426 0.77 TP53 (0.49) HRH1CYP2D6KCNH2CHRM1SSTR5
SCHEMBL9697183 0.77 SSTR5 (0.72) EEDHRH1CYP2D6KCNH2CHRM1

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