SCHEMBL9536631

SCHEMBL9536631

Fc1ccc(Cn2c(SC3CCN(CCOc4ncccn4)CC3)nc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.48
HRH1 P35367 10/20 0.47
CYP2D6 P10635 9/20 0.47
TBXA2R P21731 2/20 0.46
KCNH2 Q12809 6/20 0.46
CHRM1 P11229 4/20 0.46
TACR2 P21452 2/20 0.46
TACR1 P25103 2/20 0.46
EED O75530 2/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
HLA-A P04439 1/20 0.46
ERBB2 P04626 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 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
SCHEMBL9536849 0.85 HRH1 (0.62) SSTR5HRH1CYP2D6TBXA2RKCNH2
SCHEMBL9535641 0.85 SSTR5 (0.52) SSTR5HRH1CYP2D6TBXA2RKCNH2
SCHEMBL9537168 0.85 SSTR5 (0.49) SSTR5HRH1CYP2D6TBXA2RKCNH2
SCHEMBL9536278 0.83 SSTR5 (0.49) SSTR5HRH1CYP2D6TBXA2RKCNH2
SCHEMBL9537205 0.83 RAB9A (0.49) SSTR5HRH1CYP2D6TBXA2RKCNH2
SCHEMBL1152623 0.82 SSTR5 (0.72) SSTR5HRH1CYP2D6TBXA2RKCNH2
Oxalic Acid SCHEMBL9536571 0.78 HRH1 (0.47) SSTR5HRH1CYP2D6KCNH2CHRM1
Oxalic Acid SCHEMBL9536567 0.78 HRH1 (0.47) SSTR5HRH1CYP2D6KCNH2CHRM1
SCHEMBL9537130 0.77 KCNH2 (0.63) HRH1CYP2D6TBXA2RKCNH2CHRM1
Bromide SCHEMBL10798602 0.75 HRH1 (0.52) SSTR5HRH1CYP2D6KCNH2CHRM1

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