SCHEMBL9809346

SCHEMBL9809346

O=C(N1CCC(O)CC1)N1CCN(CCCOc2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.57
HRH2 P25021 3/20 0.57
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
LMNA P02545 2/20 0.53
HTR2A P28223 4/20 0.52
HTR1A P08908 3/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
TMEM97 Q5BJF2 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
ACHE P22303 1/20 0.52
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
DRD1 P21728 2/20 0.51
DRD5 P21918 1/20 0.51

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
SCHEMBL9809405 0.89 HRH3 (0.61) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809294 0.87 HRH1 (0.64) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809418 0.86 HRH3 (0.64) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809263 0.86 USP2 (0.72) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809235 0.85 HRH1 (0.63) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809336 0.84 HRH1 (0.66) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809297 0.81 HRH1 (0.63) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL1728918 0.80 USP2 (0.78) HRH1HRH2USP2ALDH1A1HPGD
SCHEMBL9809250 0.80 HRH1 (0.59) HRH1HRH2USP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9809406 0.79 HRH1 (0.58) HRH1HRH2USP2ALDH1A1HPGD

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-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
EP-0211928-A1 PIPERAZINECARBOXAMIDES HAVING A PHENOXYALKYL OR THIOPHENOXYALKYL SIDE CHAIN. LEO AB (SE) 1987-03-04 EP disclosed
WO-1986004584-A1 NOVEL PIPERAZINECARBOXAMIDES HAVING A PHENOXYALKYL OR THIOPHENOXYALKYL SIDE CHAIN AKTIEBOLAGET LEO (SE) 1986-08-14 WO disclosed