SCHEMBL9537168

SCHEMBL9537168

Fc1ccc(Cn2c(SC3CCN(CCNc4ncccn4)CC3)nc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.49
KCNH2 Q12809 6/20 0.47
NR4A2 P43354 2/20 0.47
CYP2D6 P10635 8/20 0.47
HRH1 P35367 8/20 0.47
CHRM1 P11229 4/20 0.46
TBXA2R P21731 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
LCK P06239 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
SCHEMBL9536631 0.85 SSTR5 (0.48) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9535641 0.84 SSTR5 (0.52) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9536849 0.84 HRH1 (0.62) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9697183 0.83 SSTR5 (0.72) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9536807 0.83 SSTR5 (0.50) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9699763 0.81 HRH1 (0.61) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9697130 0.81 KCNH2 (0.48) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9869915 0.80 SSTR5 (0.68) SSTR5KCNH2NR4A2CYP2D6HRH1
SCHEMBL9629611 0.80 EED (0.68) SSTR5KCNH2NR4A2CYP2D6HRH1
Oxalic Acid SCHEMBL9631522 0.77 SSTR5 (0.65) SSTR5KCNH2NR4A2CYP2D6HRH1

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 5 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 claimed
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