SCHEMBL8637276

SCHEMBL8637276

C=CC(=O)N1CCC(Cc2cc(OC)ccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.54
HTR1A P08908 2/20 0.54
MTNR1B P49286 2/20 0.54
TEAD1 P28347 1/20 0.46
TEAD3 Q99594 1/20 0.46
BTK Q06187 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
EGFR P00533 2/20 0.45
ITK Q08881 2/20 0.45
CPS1 P31327 2/20 0.44
RYR2 Q92736 1/20 0.44
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44

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
SCHEMBL8636820 0.88 SLC6A4 (0.53) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8635648 0.88 SLC6A4 (0.53) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8635640 0.87 SLC6A4 (0.60) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8635447 0.84 MTNR1B (0.67) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8638699 0.84 HTR1A (0.56) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8637331 0.84 MTNR1B (0.71) SLC6A4HTR1AMTNR1BKMT2ACPS1
SCHEMBL8633694 0.83 SLC6A4 (0.55) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8635354 0.83 SLC6A4 (0.55) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8636963 0.83 HTR1A (0.61) SLC6A4HTR1AMTNR1BKMT2AMEN1
SCHEMBL8635044 0.82 MTNR1B (0.65) SLC6A4HTR1AMTNR1BKMT2ACPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718286-B1 3-Alkoxybenzylpiperidine derivatives as melatonergic agents BRISTOL MYERS SQUIBB CO (US) 1998-07-29 EP claimed
EP-0718286-A1 3-Alkoxybenzylpiperidine derivatives as melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-26 EP claimed
EP-0718286-B1 3-Alkoxybenzylpiperidine derivatives as melatonergic agents BRISTOL MYERS SQUIBB CO (US) 1998-07-29 EP disclosed
EP-0718286-A1 3-Alkoxybenzylpiperidine derivatives as melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-26 EP disclosed
US-5530012-A FOR SLEEP DISORDERS, DEPRESSION, GLAUCOMA, CANCER BRISTOL-MYERS SQUIBB CO. (US) 1996-06-25 US disclosed