SCHEMBL8636409

SCHEMBL8636409

COc1cccc(CC2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
POLB P06746 1/20 0.61
HTR1A P08908 1/20 0.58
SLC6A4 P31645 1/20 0.58
ALDH1A1 P00352 2/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CCR3 P51677 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
EED O75530 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
MTNR1B P49286 1/20 0.51
MGLL Q99685 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL8634239 0.84 CCR3 (0.64) HTR1ASLC6A4KMT2AMEN1CCR3
SCHEMBL8636890 0.83 HTR1A (0.56) POLBHTR1ASLC6A4ALDH1A1KMT2A
SCHEMBL16825188 0.82 TGFBR1 (0.56) KDM4EHTR1ASLC6A4ALDH1A1KMT2A
SCHEMBL8634509 0.82 CCR3 (0.59) HTR1ASLC6A4KMT2AMEN1CCR3
SCHEMBL14421472 0.80 HTR1A (0.71) HTR1ASLC6A4EED
SCHEMBL27730804 0.79 EED (0.66) HTR1ASLC6A4ALDH1A1EED
SCHEMBL8637331 0.78 MTNR1B (0.71) KDM4EHTR1ASLC6A4ALDH1A1KMT2A
SCHEMBL7239929 0.78 MGLL (0.66) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL6191103 0.77 HTR1A (0.55) POLBHTR1ASLC6A4KMT2AMEN1
SCHEMBL4239734 0.77 CCR3 (0.54) HTR1ASLC6A4KMT2AMEN1CCR3

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 6 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
US-5530012-A FOR SLEEP DISORDERS, DEPRESSION, GLAUCOMA, CANCER BRISTOL-MYERS SQUIBB CO. (US) 1996-06-25 US 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