SCHEMBL9699679

SCHEMBL9699679

O=C(O)NCCN1CCC(Nc2nc3ccccc3n2Cc2cscn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 4/20 0.50
KCNH2 Q12809 14/20 0.49
NR4A2 P43354 1/20 0.48
HRH1 P35367 2/20 0.45
HRH4 Q9H3N8 2/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
EED O75530 1/20 0.44
USP2 O75604 1/20 0.44
ABCB11 O95342 1/20 0.44
EGFR P00533 1/20 0.44
HLA-A P04439 1/20 0.44
ERBB2 P04626 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL9629505 0.95 SSTR5 (0.47) SSTR5KCNH2NR4A2HRH1HRH4
Fumaric Acid SCHEMBL11124984 0.86 SSTR5 (0.45) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL4984732 0.86 SSTR5 (0.52) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL10554167 0.85 SSTR5 (0.49) SSTR5KCNH2NR4A2HRH1HRH4
Bromide SCHEMBL9697166 0.85 SSTR5 (0.52) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9688923 0.84 EED (0.46) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL9629392 0.83 TP53 (0.40) SSTR5KCNH2LMNAEEDTP53
SCHEMBL10505664 0.82 SSTR5 (0.46) SSTR5KCNH2NR4A2HRH1HRH4
SCHEMBL10506204 0.82 SSTR5 (0.62) SSTR5KCNH2NR4A2HRH1HRH4
Bromide SCHEMBL10428813 0.82 KCNH2 (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33833-E Intermediates for antihistamines, antiserotonine agents JANSSEN PHARMACEUTICA N.V. (BE) 1992-02-25 US disclosed
US-4820822-A ANTIHISTAMINE, ANTISEROTONINE AGENTS JANSSEN PHARMACEUTICA (BE) 1989-04-11 US disclosed
US-4760074-A Novel-N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1988-07-26 US disclosed
EP-0099139-B1 NOVEL N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1987-02-11 EP disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed