SCHEMBL8636057

SCHEMBL8636057

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 2/20 0.48
MTNR1B P49286 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.45
CHRM4 P08173 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
SCHEMBL8633680 0.91 HTR1A (0.56) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8636027 0.87 LMNA (0.55) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8636963 0.87 HTR1A (0.61) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635354 0.84 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635640 0.84 SLC6A4 (0.60) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8638699 0.83 HTR1A (0.56) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8637331 0.81 MTNR1B (0.71) HTR1ASLC6A4MTNR1BKMT2ALMNA
SCHEMBL8635447 0.81 MTNR1B (0.67) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8633694 0.80 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635236 0.80 MTNR1B (0.56) HTR1ASLC6A4MTNR1BSMN1; SMN2LMNA

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