SCHEMBL9740311

SCHEMBL9740311

Fc1ccc(Cn2c(NC3CCN(CCNc4nc5cnccc5s4)CC3)nc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.62
KCNH2 Q12809 9/20 0.59
NR4A2 P43354 2/20 0.59
EED O75530 2/20 0.57
HRH1 P35367 2/20 0.57
HRH4 Q9H3N8 2/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
MEN1 O00255 1/20 0.57
MLNR O43193 1/20 0.57
CACNA1F O60840 1/20 0.57
USP2 O75604 1/20 0.57
ABCB11 O95342 1/20 0.57
EGFR P00533 1/20 0.57
HLA-A P04439 1/20 0.57
ERBB2 P04626 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57

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
SCHEMBL10803135 0.86 SSTR5 (0.44) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL9741539 0.86 SSTR5 (0.64) SSTR5KCNH2NR4A2EEDHRH1
Water SCHEMBL9740754 0.85 SSTR5 (0.65) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL11016273 0.85 SSTR5 (0.67) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL11478983 0.84 SSTR5 (0.79) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL10506647 0.83 SSTR5 (0.67) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL10507579 0.83 SSTR5 (0.66) SSTR5KCNH2NR4A2EEDHRH1
SCHEMBL10751380 0.83 SSTR5 (0.82) SSTR5KCNH2NR4A2EEDHRH1
Oxalic Acid SCHEMBL9538828 0.82 SSTR5 (0.42) SSTR5KCNH2NR4A2HRH1TP53
Oxalic Acid SCHEMBL9538823 0.82 SSTR5 (0.42) SSTR5KCNH2NR4A2HRH1TP53

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
US-5126339-A Antihistamine, antiserotonine JANSSEN PHARMACEUTICA N.V. (BE) 1992-06-30 US disclosed
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