SCHEMBL8636883

SCHEMBL8636883

COc1ccc(F)c(CC2CCN(C(=O)C3CCC3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.65
SLC6A4 P31645 3/20 0.54
HTR1A P08908 1/20 0.54
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
CPS1 P31327 1/20 0.46
HPGD P15428 1/20 0.45
PKM P14618 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 0.98 MTNR1B (0.65) MTNR1BSLC6A4HTR1AKDM4EALDH1A1
SCHEMBL8637331 0.95 MTNR1B (0.71) MTNR1BSLC6A4HTR1AKDM4EALDH1A1
SCHEMBL8635640 0.87 SLC6A4 (0.60) MTNR1BSLC6A4HTR1AKMT2ACPS1
SCHEMBL8638699 0.84 HTR1A (0.56) MTNR1BSLC6A4HTR1AKMT2ACPS1
SCHEMBL8635447 0.84 MTNR1B (0.67) MTNR1BSLC6A4HTR1ALMNAKMT2A
SCHEMBL8636963 0.83 HTR1A (0.61) MTNR1BSLC6A4HTR1AKMT2A
SCHEMBL8633694 0.83 SLC6A4 (0.55) MTNR1BSLC6A4HTR1AKMT2ACPS1
SCHEMBL8635354 0.83 SLC6A4 (0.55) MTNR1BSLC6A4HTR1AKMT2ACPS1
SCHEMBL8637276 0.82 SLC6A4 (0.54) MTNR1BSLC6A4HTR1AKMT2ACPS1
SCHEMBL8635648 0.81 SLC6A4 (0.53) MTNR1BSLC6A4HTR1AALDH1A1KMT2A

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 5 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
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