SCHEMBL9809294

SCHEMBL9809294

O=C(N1CCCC1)N1CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.64
HRH2 P25021 2/20 0.64
LMNA P02545 2/20 0.63
MEN1 O00255 1/20 0.63
HTT P42858 1/20 0.63
KMT2A Q03164 1/20 0.63
HRH3 Q9Y5N1 6/20 0.62
KCNH2 Q12809 3/20 0.58
ALDH1A1 P00352 2/20 0.58
USP2 O75604 1/20 0.58
HPGD P15428 1/20 0.58
CYP3A4 P08684 1/20 0.57
HTR1A P08908 3/20 0.56
DRD2 P14416 3/20 0.56
HTR2A P28223 3/20 0.56
DRD3 P35462 3/20 0.56
SIGMAR1 Q99720 2/20 0.56
TMEM97 Q5BJF2 1/20 0.56
LTA4H P09960 1/20 0.56
DRD1 P21728 2/20 0.55

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
SCHEMBL9809418 0.99 HRH3 (0.64) HRH1HRH2LMNAMEN1HTT
SCHEMBL9809263 0.91 USP2 (0.72) HRH1HRH2LMNAMEN1HTT
SCHEMBL9809235 0.90 HRH1 (0.63) HRH1HRH2LMNAMEN1HTT
SCHEMBL9809336 0.88 HRH1 (0.66) HRH1HRH2LMNAHRH3KCNH2
SCHEMBL9809346 0.87 HRH1 (0.57) HRH1HRH2LMNAMEN1HTT
SCHEMBL7244345 0.86 HRH2 (0.65) HRH1HRH2MEN1KMT2AHRH3
SCHEMBL9809405 0.86 HRH3 (0.61) HRH1HRH2LMNAKMT2AHRH3
SCHEMBL9809297 0.85 HRH1 (0.63) HRH1HRH2LMNAMEN1HTT
SCHEMBL1728918 0.84 USP2 (0.78) HRH1HRH2LMNAMEN1HTT
SCHEMBL7434707 0.82 HRH3 (0.88) HRH1LMNAMEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0211928-B1 PIPERAZINECARBOXAMIDES HAVING A PHENOXYALKYL OR THIOPHENOXYALKYL SIDE CHAIN AB LEO (SE) 1991-05-02 EP disclosed
US-4778789-A PSYCHOLOGICAL DISORDERS AKTIEBOLAGET LEO (SE) 1988-10-18 US disclosed