SCHEMBL8637780

SCHEMBL8637780

CCC(C)C(=O)N1CCC(Cc2cc(OC)ccc2F)CC1.CCCC(=O)N1CCC(Cc2cccc(OC)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.49
SLC6A4 P31645 3/20 0.49
MTNR1B P49286 1/20 0.45
EPHX2 P34913 2/20 0.44
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCR3 P51677 3/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8635236 0.88 MTNR1B (0.56) HTR1ASLC6A4MTNR1BEPHX2POLB
SCHEMBL8635354 0.85 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BEPHX2POLB
SCHEMBL8636890 0.84 HTR1A (0.56) HTR1ASLC6A4MTNR1BPOLBSMN1; SMN2
SCHEMBL8635447 0.80 MTNR1B (0.67) HTR1ASLC6A4MTNR1BEPHX2POLB
SCHEMBL8638699 0.78 HTR1A (0.56) HTR1ASLC6A4MTNR1BEPHX2POLB
SCHEMBL8635640 0.74 SLC6A4 (0.60) HTR1ASLC6A4MTNR1BPOLBKMT2A
SCHEMBL8633694 0.73 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BPOLBSMN1; SMN2
SCHEMBL8637987 0.72 EED (0.68) POLBLMNARAB9ASMN1; SMN2KMT2A
SCHEMBL8637331 0.72 MTNR1B (0.71) HTR1ASLC6A4MTNR1BLMNAKMT2A
SCHEMBL8636057 0.72 HTR1A (0.54) HTR1ASLC6A4MTNR1BLMNASMN1; SMN2

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 disclosed
EP-0718286-A1 3-Alkoxybenzylpiperidine derivatives as melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-26 EP disclosed