SCHEMBL9697345

SCHEMBL9697345

Oc1ccc2c(c1)nc(NC1CCN(CCNc3ncccn3)CC1)n2Cc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.64
NR4A2 P43354 2/20 0.64
SSTR5 P35346 8/20 0.57
HRH1 P35367 2/20 0.53
HRH4 Q9H3N8 2/20 0.53
EED O75530 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
MLNR O43193 1/20 0.53
CACNA1F O60840 1/20 0.53
USP2 O75604 1/20 0.53
ABCB11 O95342 1/20 0.53
EGFR P00533 1/20 0.53
HLA-A P04439 1/20 0.53
ERBB2 P04626 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53

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
SCHEMBL9697183 0.89 SSTR5 (0.72) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1152622 0.88 KCNH2 (0.65) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1152553 0.87 KCNH2 (0.69) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1151797 0.86 SSTR5 (0.59) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9869915 0.86 SSTR5 (0.68) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1100874 0.85 KCNH2 (0.83) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL9698322 0.85 SSTR5 (0.59) KCNH2NR4A2SSTR5HRH1HRH4
Bromide SCHEMBL9699693 0.84 KCNH2 (0.67) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL10551207 0.84 SSTR5 (0.58) KCNH2NR4A2SSTR5HRH1HRH4
Oxalic Acid SCHEMBL9631522 0.84 SSTR5 (0.65) KCNH2NR4A2SSTR5HRH1HRH4

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-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
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