SCHEMBL9739877

SCHEMBL9739877

Nc1ccncc1NC(=S)NCCCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.56
KCNH2 Q12809 8/20 0.56
NR4A2 P43354 2/20 0.56
HRH1 P35367 2/20 0.52
HRH4 Q9H3N8 2/20 0.52
EED O75530 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
USP2 O75604 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
HLA-A P04439 1/20 0.52
ERBB2 P04626 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52

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
SCHEMBL1151619 0.95 SSTR5 (0.59) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9630327 0.91 EED (0.56) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL11470119 0.87 SSTR5 (0.63) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL1152728 0.86 KCNH2 (0.46) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9739926 0.86 SSTR5 (0.58) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL1152449 0.85 KCNH2 (0.46) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9739865 0.84 SSTR5 (0.54) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL1152544 0.83 SSTR5 (0.61) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9564809 0.82 KCNH2 (0.42) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL10548825 0.82 KCNH2 (0.42) SSTR5KCNH2NR4A2HRH1HRH4

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