SCHEMBL9536075

SCHEMBL9536075

OCCN1CCC(Oc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 11/20 0.62
CYP2D6 P10635 8/20 0.62
SSTR5 P35346 4/20 0.52
KCNH2 Q12809 7/20 0.52
NR4A2 P43354 1/20 0.52
TACR2 P21452 2/20 0.51
TACR1 P25103 2/20 0.51
CHRM1 P11229 4/20 0.50
EED O75530 2/20 0.50
TP53 P04637 2/20 0.50
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
HLA-A P04439 1/20 0.50
ERBB2 P04626 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9536278 0.85 SSTR5 (0.49) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9537447 0.84 SSTR5 (0.49) HRH1SSTR5KCNH2NR4A2TACR2
SCHEMBL9537124 0.82 LMNA (0.48) HRH1CYP2D6SSTR5KCNH2TACR2
SCHEMBL10546904 0.81 HRH1 (0.46) HRH1CYP2D6SSTR5KCNH2NR4A2
Hydrochloric Acid SCHEMBL9537053 0.81 KCNH2 (0.62) HRH1CYP2D6KCNH2NR4A2CHRM1
SCHEMBL10550542 0.81 SLC18A2 (0.55) HRH1CYP2D6SSTR5KCNH2TP53
SCHEMBL9535563 0.81 TP53 (0.51) HRH1CYP2D6KCNH2TACR2TACR1
SCHEMBL9537554 0.80 HRH1 (0.63) HRH1CYP2D6SSTR5KCNH2NR4A2
SCHEMBL9536849 0.80 HRH1 (0.62) HRH1CYP2D6SSTR5KCNH2NR4A2
Hydrochloric Acid SCHEMBL9539517 0.80 HRH1 (0.62) HRH1CYP2D6SSTR5KCNH2NR4A2

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