SCHEMBL9809263

SCHEMBL9809263

CN1CCN(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.72
ALDH1A1 P00352 1/20 0.72
HPGD P15428 1/20 0.72
HRH1 P35367 4/20 0.64
HRH2 P25021 3/20 0.64
CXCR1 P25024 2/20 0.57
DRD2 P14416 3/20 0.56
RAB9A P51151 2/20 0.56
KCNA5 P22460 1/20 0.56
LMNA P02545 2/20 0.56
HTR1A P08908 2/20 0.55
HTR2A P28223 2/20 0.55
DRD3 P35462 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
TMEM97 Q5BJF2 1/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
NPC1 O15118 1/20 0.54
DRD1 P21728 1/20 0.54

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
SCHEMBL9809235 0.91 HRH1 (0.63) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809294 0.91 HRH1 (0.64) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809418 0.90 HRH3 (0.64) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL12359053 0.89 USP2 (0.91) USP2ALDH1A1HPGDHRH1CXCR1
SCHEMBL9809405 0.88 HRH3 (0.61) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809336 0.87 HRH1 (0.66) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809346 0.86 HRH1 (0.57) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809297 0.84 HRH1 (0.63) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809265 0.83 HRH1 (0.63) USP2ALDH1A1HPGDHRH1HRH2
SCHEMBL9809231 0.83 HRH1 (0.63) USP2ALDH1A1HPGDHRH1HRH2

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