SCHEMBL8637987

SCHEMBL8637987

CCCC(=O)N1CCCC(Cc2cccc(OC)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.68
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 9/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CCR3 P51677 2/20 0.52
LMNA P02545 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.48

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
SCHEMBL8636890 0.86 HTR1A (0.56) EEDNPC1SMN1; SMN2POLBALDH1A1
SCHEMBL8636411 0.84 EED (0.67) EEDPOLBALDH1A1L3MBTL1CCR3
SCHEMBL7316755 0.81 DRD2 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6989129 0.77 EED (0.60) EEDNPC1RAB9APOLBALDH1A1
SCHEMBL9600780 0.76 TACR3 (0.67) EEDRAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL27962885 0.75 EED (0.49) EEDSMN1; SMN2ALDH1A1CCR3MEN1
SCHEMBL6953209 0.74 TACR1 (0.52) ALDH1A1KMT2A
SCHEMBL6959582 0.74 TACR1 (0.52) EEDNPC1ALDH1A1CCR3MEN1
SCHEMBL25698257 0.74 EED (0.71) EEDALDH1A1LMNAPKM
SCHEMBL22813680 0.74 SIGMAR1 (0.62) NPC1SMN1; SMN2ALDH1A1L3MBTL1

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