SCHEMBL8636027

SCHEMBL8636027

CCCNC(=S)N1CCC(Cc2cc(OC)ccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTR1A P08908 1/20 0.52
SLC6A4 P31645 1/20 0.52
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1B P49286 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.41

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 0.87 HTR1A (0.54) LMNASMN1; SMN2HTR1ASLC6A4MTNR1B
SCHEMBL8633680 0.81 HTR1A (0.56) SMN1; SMN2HTR1ASLC6A4ALDH1A1MTNR1B
SCHEMBL8635354 0.80 SLC6A4 (0.55) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8635640 0.79 SLC6A4 (0.60) HTR1ASLC6A4MTNR1BMEN1KMT2A
SCHEMBL8638699 0.79 HTR1A (0.56) HTR1ASLC6A4MAPTMTNR1BMEN1
SCHEMBL8636963 0.78 HTR1A (0.61) SMN1; SMN2HTR1ASLC6A4MTNR1BMEN1
SCHEMBL8637331 0.77 MTNR1B (0.71) LMNAHTR1ASLC6A4ALDH1A1MAPT
SCHEMBL8635447 0.77 MTNR1B (0.67) LMNASMN1; SMN2HTR1ASLC6A4RAB9A
SCHEMBL8633694 0.76 SLC6A4 (0.55) SMN1; SMN2HTR1ASLC6A4MTNR1BMEN1
SCHEMBL8635236 0.75 MTNR1B (0.56) LMNASMN1; SMN2HTR1ASLC6A4RAB9A

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