SCHEMBL8635447

SCHEMBL8635447

COc1ccc(F)c(CC2CCN(C(=O)C(C)C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.67
SLC6A4 P31645 3/20 0.56
HTR1A P08908 2/20 0.56
MTNR1A P48039 2/20 0.49
EED O75530 1/20 0.48
POLB P06746 3/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.45
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.45
CPS1 P31327 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 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
SCHEMBL8635236 0.91 MTNR1B (0.56) MTNR1BSLC6A4HTR1AEEDPOLB
SCHEMBL8635640 0.89 SLC6A4 (0.60) MTNR1BSLC6A4HTR1APOLBCPS1
SCHEMBL8633694 0.87 SLC6A4 (0.55) MTNR1BSLC6A4HTR1AEEDPOLB
SCHEMBL8638699 0.86 HTR1A (0.56) MTNR1BSLC6A4HTR1APOLBEPHX2
SCHEMBL8637331 0.86 MTNR1B (0.71) MTNR1BSLC6A4HTR1AMTNR1ALMNA
SCHEMBL8635354 0.85 SLC6A4 (0.55) MTNR1BSLC6A4HTR1APOLBEPHX2
SCHEMBL8636963 0.85 HTR1A (0.61) MTNR1BSLC6A4HTR1APOLBSMN1; SMN2
SCHEMBL8635044 0.84 MTNR1B (0.65) MTNR1BSLC6A4HTR1ALMNAHPGD
SCHEMBL8637276 0.84 SLC6A4 (0.54) MTNR1BSLC6A4HTR1APOLBCPS1
SCHEMBL8636883 0.84 MTNR1B (0.65) MTNR1BSLC6A4HTR1ALMNAHPGD

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