SCHEMBL9698271

SCHEMBL9698271

CC(=O)CN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.75
KCNH2 Q12809 7/20 0.69
NR4A2 P43354 2/20 0.69
HRH1 P35367 3/20 0.66
LMNA P02545 2/20 0.66
GAA P10253 2/20 0.66
EED O75530 2/20 0.66
HRH4 Q9H3N8 2/20 0.66
TP53 P04637 2/20 0.66
CYP2D6 P10635 2/20 0.66
CHRM1 P11229 2/20 0.66
MEN1 O00255 1/20 0.66
MLNR O43193 1/20 0.66
CACNA1F O60840 1/20 0.66
USP2 O75604 1/20 0.66
ABCB11 O95342 1/20 0.66
EGFR P00533 1/20 0.66
HLA-A P04439 1/20 0.66
ERBB2 P04626 1/20 0.66
CYP1A2 P05177 1/20 0.66

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
SCHEMBL9741103 0.91 SSTR5 (0.73) SSTR5KCNH2NR4A2HRH1LMNA
SCHEMBL9698834 0.85 SSTR5 (0.80) SSTR5KCNH2NR4A2HRH1LMNA
SCHEMBL9697310 0.85 SSTR5 (0.80) SSTR5KCNH2NR4A2HRH1LMNA
SCHEMBL10529762 0.85 SSTR5 (0.78) SSTR5KCNH2NR4A2HRH1LMNA
Bromide SCHEMBL10506027 0.84 SSTR5 (0.70) SSTR5KCNH2NR4A2HRH1LMNA
Bromide SCHEMBL11271787 0.84 SSTR5 (0.79) SSTR5KCNH2NR4A2HRH1LMNA
Hydrochloric Acid SCHEMBL9742552 0.84 SSTR5 (0.79) SSTR5KCNH2NR4A2HRH1LMNA
SCHEMBL10428782 0.84 SSTR5 (0.72) SSTR5KCNH2NR4A2HRH1LMNA
SCHEMBL10861376 0.84 SSTR5 (0.77) SSTR5KCNH2NR4A2HRH1LMNA
SCHEMBL10509480 0.84 SSTR5 (0.84) SSTR5KCNH2NR4A2HRH1LMNA

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