SCHEMBL8635236

SCHEMBL8635236

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.56
EPHX2 P34913 9/20 0.54
HTR1A P08908 1/20 0.53
SLC6A4 P31645 1/20 0.53
EED O75530 1/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL8635447 0.91 MTNR1B (0.67) MTNR1BEPHX2HTR1ASLC6A4EED
SCHEMBL8637780 0.88 HTR1A (0.49) MTNR1BEPHX2HTR1ASLC6A4POLB
SCHEMBL8635640 0.85 SLC6A4 (0.60) MTNR1BHTR1ASLC6A4POLB
SCHEMBL8638699 0.84 HTR1A (0.56) MTNR1BEPHX2HTR1ASLC6A4POLB
SCHEMBL8633694 0.83 SLC6A4 (0.55) MTNR1BHTR1ASLC6A4EEDPOLB
SCHEMBL8635354 0.83 SLC6A4 (0.55) MTNR1BEPHX2HTR1ASLC6A4POLB
SCHEMBL8637331 0.82 MTNR1B (0.71) MTNR1BHTR1ASLC6A4LMNA
SCHEMBL8633680 0.81 HTR1A (0.56) MTNR1BHTR1ASLC6A4SMN1; SMN2
SCHEMBL8636963 0.81 HTR1A (0.61) MTNR1BHTR1ASLC6A4POLBSMN1; SMN2
SCHEMBL8635044 0.80 MTNR1B (0.65) MTNR1BHTR1ASLC6A4LMNA

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-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