SCHEMBL9540175

SCHEMBL9540175

COc1ccc(CCN2CCC(Cc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.71
HRH1 P35367 3/20 0.71
SSTR5 P35346 3/20 0.71
TACR2 P21452 2/20 0.71
TACR1 P25103 2/20 0.71
EED O75530 2/20 0.71
HTR1A P08908 2/20 0.71
SLC6A4 P31645 2/20 0.71
MEN1 O00255 1/20 0.71
MLNR O43193 1/20 0.71
CACNA1F O60840 1/20 0.71
USP2 O75604 1/20 0.71
ABCB11 O95342 1/20 0.71
EGFR P00533 1/20 0.71
LMNA P02545 1/20 0.71
HLA-A P04439 1/20 0.71
ERBB2 P04626 1/20 0.71
TP53 P04637 1/20 0.71
CYP1A2 P05177 1/20 0.71
LCK P06239 1/20 0.71

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
Hydrochloric Acid SCHEMBL9537185 0.89 HTR1A (0.57) KCNH2HRH1SSTR5TACR2TACR1
SCHEMBL9539005 0.89 TP53 (0.64) KCNH2HRH1SSTR5TACR2TACR1
SCHEMBL10547773 0.89 HTR1A (0.56) KCNH2HRH1SSTR5TACR2TACR1
SCHEMBL9539974 0.88 KCNH2 (0.69) KCNH2HRH1SSTR5TACR2TACR1
SCHEMBL23696819 0.88 HRH1 (0.69) KCNH2HRH1SSTR5TACR2TACR1
Hydrochloric Acid SCHEMBL9537707 0.88 KCNH2 (0.58) KCNH2HRH1SSTR5TACR2TACR1
SCHEMBL9536010 0.88 HRH1 (0.55) KCNH2HRH1SSTR5TACR2TACR1
SCHEMBL9537962 0.88 HTR1A (0.57) KCNH2HRH1SSTR5TACR2TACR1
Hydrochloric Acid SCHEMBL9540285 0.87 KCNH2 (0.55) KCNH2HRH1SSTR5TACR2TACR1
Hydrochloric Acid SCHEMBL10798502 0.87 KCNH2 (0.57) KCNH2HRH1SSTR5TACR2TACR1

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