SCHEMBL8637331

SCHEMBL8637331

COc1ccc(F)c(CC2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.71
HTR1A P08908 1/20 0.56
SLC6A4 P31645 1/20 0.56
PKM P14618 1/20 0.49
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
MTNR1A P48039 2/20 0.47
CPS1 P31327 1/20 0.47
FASN P49327 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL8635044 0.95 MTNR1B (0.65) MTNR1BHTR1ASLC6A4PKMKDM4E
SCHEMBL8636883 0.95 MTNR1B (0.65) MTNR1BHTR1ASLC6A4PKMKDM4E
SCHEMBL8635640 0.89 SLC6A4 (0.60) MTNR1BHTR1ASLC6A4CPS1KMT2A
SCHEMBL8638699 0.88 HTR1A (0.56) MTNR1BHTR1ASLC6A4CPS1MAPT
SCHEMBL8635447 0.86 MTNR1B (0.67) MTNR1BHTR1ASLC6A4LMNAMTNR1A
SCHEMBL8636963 0.85 HTR1A (0.61) MTNR1BHTR1ASLC6A4KMT2A
SCHEMBL8635354 0.85 SLC6A4 (0.55) MTNR1BHTR1ASLC6A4CPS1KMT2A
SCHEMBL8633694 0.85 SLC6A4 (0.55) MTNR1BHTR1ASLC6A4CPS1KMT2A
SCHEMBL8637276 0.84 SLC6A4 (0.54) MTNR1BHTR1ASLC6A4CPS1KMT2A
SCHEMBL8633680 0.83 HTR1A (0.56) MTNR1BHTR1ASLC6A4KDM4EMTNR1A

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