SCHEMBL9809405

SCHEMBL9809405

CC1CCN(C(=O)N2CCN(CCCOc3ccc(F)cc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.61
HRH2 P25021 1/20 0.59
HRH1 P35367 1/20 0.59
SIGMAR1 Q99720 2/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
USP2 O75604 1/20 0.55
HPGD P15428 1/20 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
SCHEMBL9809346 0.89 HRH1 (0.57) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL9809263 0.88 USP2 (0.72) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL9809235 0.86 HRH1 (0.63) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL9809294 0.86 HRH1 (0.64) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL9809418 0.85 HRH3 (0.64) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL9809336 0.83 HRH1 (0.66) HRH3HRH2HRH1SIGMAR1ALDH1A1
SCHEMBL9809297 0.80 HRH1 (0.63) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL23366756 0.79 SIGMAR1 (0.71) HRH3SIGMAR1ALDH1A1KDM4EUSP2
SCHEMBL9809231 0.79 HRH1 (0.63) HRH3HRH2HRH1SIGMAR1KMT2A
SCHEMBL9809265 0.79 HRH1 (0.63) HRH3HRH2HRH1SIGMAR1KMT2A

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