SCHEMBL9699694

SCHEMBL9699694

OCCN1CCC(Nc2nc3ccccc3n2Cc2ccco2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.54
KCNH2 Q12809 11/20 0.54
NR4A2 P43354 1/20 0.54
HRH1 P35367 2/20 0.49
USP2 O75604 2/20 0.49
MEN1 O00255 1/20 0.49
MLNR O43193 1/20 0.49
CACNA1F O60840 1/20 0.49
EED O75530 1/20 0.49
ABCB11 O95342 1/20 0.49
EGFR P00533 1/20 0.49
LMNA P02545 1/20 0.49
HLA-A P04439 1/20 0.49
ERBB2 P04626 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49

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
SCHEMBL9739999 0.90 SSTR5 (0.54) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL10506012 0.86 KCNH2 (0.49) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL9739638 0.86 KCNH2 (0.56) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL10428896 0.85 KCNH2 (0.55) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL9698698 0.85 SSTR5 (0.49) SSTR5KCNH2NR4A2HRH1USP2
Water SCHEMBL10857314 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL9698759 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2HRH1USP2
Water SCHEMBL10857307 0.85 KCNH2 (0.51) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL11018519 0.84 KCNH2 (0.47) SSTR5KCNH2NR4A2HRH1USP2
SCHEMBL10506004 0.84 KCNH2 (0.47) SSTR5KCNH2NR4A2HRH1USP2

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