SCHEMBL8633694

SCHEMBL8633694

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.55
HTR1A P08908 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MTNR1B P49286 2/20 0.55
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EED O75530 1/20 0.45
CPS1 P31327 1/20 0.44
NPC1 O15118 1/20 0.44
CHRM2 P08172 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL8635640 0.88 SLC6A4 (0.60) SLC6A4HTR1AMTNR1BMEN1KMT2A
SCHEMBL8635447 0.87 MTNR1B (0.67) SLC6A4HTR1AMTNR1BMEN1KMT2A
SCHEMBL8638699 0.85 HTR1A (0.56) SLC6A4HTR1AMTNR1BMEN1KMT2A
SCHEMBL8637331 0.85 MTNR1B (0.71) SLC6A4HTR1AMTNR1BKMT2ACPS1
SCHEMBL8636963 0.84 HTR1A (0.61) SLC6A4HTR1AMTNR1BMEN1KMT2A
SCHEMBL8635354 0.84 SLC6A4 (0.55) SLC6A4HTR1AMTNR1BMEN1KMT2A
SCHEMBL8635236 0.83 MTNR1B (0.56) SLC6A4HTR1AMTNR1BPOLBSMN1; SMN2
SCHEMBL8635044 0.83 MTNR1B (0.65) SLC6A4HTR1AMTNR1BKMT2ACPS1
SCHEMBL8637276 0.83 SLC6A4 (0.54) SLC6A4HTR1AMTNR1BMEN1KMT2A
SCHEMBL8636883 0.83 MTNR1B (0.65) SLC6A4HTR1AMTNR1BKMT2ACPS1

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