SCHEMBL9800703

SCHEMBL9800703

Fc1ccc(Cn2c(NC3CCN(CCSc4nc5cccnc5s4)CC3)nc3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.63
KCNH2 Q12809 9/20 0.60
NR4A2 P43354 2/20 0.60
EED O75530 2/20 0.58
HRH1 P35367 2/20 0.58
HRH4 Q9H3N8 2/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.58
MLNR O43193 1/20 0.58
CACNA1F O60840 1/20 0.58
USP2 O75604 1/20 0.58
ABCB11 O95342 1/20 0.58
EGFR P00533 1/20 0.58
HLA-A P04439 1/20 0.58
ERBB2 P04626 1/20 0.58
TP53 P04637 1/20 0.58
CYP1A2 P05177 1/20 0.58
LCK P06239 1/20 0.58
FYN P06241 1/20 0.58

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
SCHEMBL9699593 0.87 SSTR5 (0.71) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL9741539 0.85 SSTR5 (0.64) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL9740593 0.85 SSTR5 (0.64) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL10507567 0.82 SSTR5 (0.66) SSTR5KCNH2NR4A2EEDHRH1
Oxalic Acid SCHEMBL9538790 0.81 SLC6A9 (0.45) SSTR5KCNH2NR4A2HRH1TP53
Oxalic Acid SCHEMBL10803978 0.81 SLC6A9 (0.45) SSTR5KCNH2NR4A2HRH1TP53
SCHEMBL9740965 0.79 SSTR5 (0.81) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL1152623 0.79 SSTR5 (0.72) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL11480928 0.79 SSTR5 (0.78) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL9697183 0.79 SSTR5 (0.72) SSTR5KCNH2NR4A2EEDHRH1

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
US-5025014-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-06-18 US disclosed
US-4888426-A CHEMICAL INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1989-12-19 US disclosed
US-4695569-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1987-09-22 US disclosed
EP-0144101-A2 Bicyclic heterocyclyl containing N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-12 EP disclosed