SCHEMBL7762072

SCHEMBL7762072

CC(=O)Oc1ccc(CN2CCC[C@@H](C)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.67
HRH4 Q9H3N8 1/20 0.67
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
S1PR5 Q9H228 2/20 0.48

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
SCHEMBL7758416 1.00 HRH3 (0.67) HRH3HRH4KDM4EALDH1A1LMNA
SCHEMBL7763017 0.83 HRH3 (0.59) HRH3HRH4KDM4EALDH1A1HPGD
SCHEMBL14032674 0.82 HRH3 (0.68) HRH3HRH4KDM4EALDH1A1LMNA
SCHEMBL8232974 0.82 HRH4 (0.60) HRH3HRH4KDM4EKMT2AHPGD
SCHEMBL14032664 0.80 HRH3 (0.65) HRH3HRH4KDM4EALDH1A1LMNA
SCHEMBL13726832 0.77 HPGD (0.60) HRH3HRH4ALDH1A1LMNAKMT2A
SCHEMBL8244556 0.77 HRH3 (0.54) HRH3HRH4ALDH1A1LMNAKMT2A
SCHEMBL25740940 0.77 GAA (0.58) HRH3HRH4KDM4EALDH1A1GAA
SCHEMBL13727922 0.77 GAA (0.58) HRH3HRH4KDM4EALDH1A1GAA
SCHEMBL16254956 0.77 GAA (0.58) HRH3HRH4KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO disclosed