SCHEMBL8633680

SCHEMBL8633680

CCNC(=O)N1CCC(Cc2cc(OC)ccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
SLC6A4 P31645 2/20 0.56
MTNR1B P49286 6/20 0.52
MTNR1A P48039 1/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8636057 0.91 HTR1A (0.54) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8636963 0.89 HTR1A (0.61) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635640 0.86 SLC6A4 (0.60) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8638699 0.85 HTR1A (0.56) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635354 0.84 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635447 0.83 MTNR1B (0.67) HTR1ASLC6A4MTNR1BMTNR1AMEN1
SCHEMBL8637331 0.83 MTNR1B (0.71) HTR1ASLC6A4MTNR1BMTNR1AKDM4E
SCHEMBL8633694 0.82 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635236 0.81 MTNR1B (0.56) HTR1ASLC6A4MTNR1BSMN1; SMN2
SCHEMBL8637276 0.81 SLC6A4 (0.54) HTR1ASLC6A4MTNR1BMEN1KMT2A

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