SCHEMBL9698288

SCHEMBL9698288

COc1ccc2nc(NC3CCNCC3)n(Cc3ccc(F)cc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.70
NR4A2 P43354 2/20 0.70
SSTR5 P35346 8/20 0.64
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
EED O75530 2/20 0.60
MEN1 O00255 1/20 0.60
MLNR O43193 1/20 0.60
CACNA1F O60840 1/20 0.60
USP2 O75604 1/20 0.60
ABCB11 O95342 1/20 0.60
EGFR P00533 1/20 0.60
HLA-A P04439 1/20 0.60
ERBB2 P04626 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
LCK P06239 1/20 0.60
FYN P06241 1/20 0.60
CHRM2 P08172 1/20 0.60
CHRM4 P08173 1/20 0.60

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
SCHEMBL9698140 0.92 KCNH2 (0.70) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL9699730 0.84 KCNH2 (0.75) KCNH2NR4A2SSTR5LMNAGAA
Tecastemizole SCHEMBL18200 0.82 KCNH2 (1.00) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL10619329 0.82 GAA (0.66) KCNH2NR4A2SSTR5LMNAGAA
Astemizole SCHEMBL8026633 0.82 KCNH2 (0.90) KCNH2NR4A2SSTR5LMNAGAA
Tecastemizole SCHEMBL11278980 0.81 KCNH2 (0.98) KCNH2NR4A2SSTR5LMNAGAA
Tecastemizole SCHEMBL9698437 0.81 KCNH2 (0.98) KCNH2NR4A2SSTR5LMNAGAA
Bromide SCHEMBL11304724 0.81 KCNH2 (0.78) KCNH2NR4A2SSTR5LMNAGAA
SCHEMBL9537829 0.81 KCNH2 (0.58) KCNH2NR4A2SSTR5TBXA2RHTR3A
Tecastemizole SCHEMBL10510276 0.81 KCNH2 (0.92) KCNH2NR4A2SSTR5LMNAGAA

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 9 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-0145037-B1 N-(BICYCLIC HETEROCYCLYL)-4-PIPERIDINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-18 EP 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-4634704-A HISTAMINE AND SEROTONINE ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 1987-01-06 US disclosed
US-4556660-A ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1985-12-03 US disclosed
EP-0145037-A2 N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-06-19 EP disclosed
EP-0099139-A2 Novel N-(bicyclic heterocyclyl)-4-piperidinamines JANSSEN PHARMACEUTICA N.V. (BE) 1984-01-25 EP disclosed