SCHEMBL11100002

SCHEMBL11100002

C1CCC(NNC2CCCCN2)NC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CYP2D6 P10635 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL31094929 0.82 CYP2D6 (0.32) POLBSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL27732224 0.78
SCHEMBL6521237 0.78
SCHEMBL22546215 0.78
SCHEMBL14981374 0.78
SCHEMBL24149734 0.78
SCHEMBL907793 0.78
SCHEMBL6519431 0.78
SCHEMBL6670552 0.76 CYP2D6 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6MEN1
SCHEMBL6669388 0.76

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0061982-B1 PROCESS FOR THE PREPARATION OF PYRIDINE AND OF SUBSTITUTED PYRIDINES RHONE-POULENC CHIMIE (FR) 1984-10-17 EP claimed
US-4401819-A FROM PIPERIDINES, 1,5-DIAMINOPENTANES OR N,N'-BIS(PIPERIDEN-2-YL) HYDRAZINE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-08-30 US claimed
US-4401819-A FROM PIPERIDINES, 1,5-DIAMINOPENTANES OR N,N'-BIS(PIPERIDEN-2-YL) HYDRAZINE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-08-30 US disclosed
US-4401819-A FROM PIPERIDINES, 1,5-DIAMINOPENTANES OR N,N'-BIS(PIPERIDEN-2-YL) HYDRAZINE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-08-30 US disclosed