SCHEMBL8638699

SCHEMBL8638699

CCC(=O)N1CCC(Cc2cc(OC)ccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
SLC6A4 P31645 2/20 0.56
MTNR1B P49286 3/20 0.56
EPHX2 P34913 3/20 0.51
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
CPS1 P31327 1/20 0.45
DRD3 P35462 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 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
SCHEMBL8635354 0.92 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BEPHX2CPS1
SCHEMBL8635640 0.89 SLC6A4 (0.60) HTR1ASLC6A4MTNR1BCPS1MEN1
SCHEMBL8637331 0.88 MTNR1B (0.71) HTR1ASLC6A4MTNR1BMAPTCPS1
SCHEMBL8635447 0.86 MTNR1B (0.67) HTR1ASLC6A4MTNR1BEPHX2CPS1
SCHEMBL8633680 0.85 HTR1A (0.56) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8633694 0.85 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BCPS1MEN1
SCHEMBL8636963 0.85 HTR1A (0.61) HTR1ASLC6A4MTNR1BMEN1POLB
SCHEMBL8635236 0.84 MTNR1B (0.56) HTR1ASLC6A4MTNR1BEPHX2POLB
SCHEMBL8635044 0.84 MTNR1B (0.65) HTR1ASLC6A4MTNR1BCPS1KMT2A
SCHEMBL8637276 0.84 SLC6A4 (0.54) HTR1ASLC6A4MTNR1BCPS1MEN1

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