SCHEMBL8088922

SCHEMBL8088922

CCCC(=O)NC[C@@H]1C[C@H]1c1cccc(OCCCc2cccc(OC)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
GLA P06280 1/20 0.47
EPHX2 P34913 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 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
SCHEMBL8088924 1.00 MTNR1A (0.49) MTNR1AMTNR1BCNR1CNR2GLA
SCHEMBL8088456 0.93 MTNR1A (0.49) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8088455 0.93 MTNR1A (0.49) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8104382 0.92 MTNR1A (0.58) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8098444 0.89 MTNR1A (0.60) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8098442 0.89 MTNR1A (0.60) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8088925 0.88 HTR2A (0.55) MTNR1AMTNR1B
SCHEMBL8089150 0.88 HTR2A (0.55) MTNR1AMTNR1B
SCHEMBL8104745 0.88 MTNR1A (0.59) MTNR1AMTNR1BCNR1CNR2
SCHEMBL8088386 0.88 MTNR1A (0.59) MTNR1AMTNR1BCNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP claimed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP claimed
EP-0747346-B1 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL MYERS SQUIBB CO (US) 2000-02-16 EP disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed