SCHEMBL8104776

SCHEMBL8104776

CCCCCCCCCOc1cccc(C2CC2CNC(=O)CCC)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.48
CNR1 P21554 7/20 0.48
SMPD1 P17405 3/20 0.46
MTNR1A P48039 4/20 0.46
MTNR1B P49286 4/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL8097840 1.00 CNR2 (0.48) CNR2CNR1SMPD1MTNR1AMTNR1B
SCHEMBL8097843 1.00 CNR2 (0.48) CNR2CNR1SMPD1MTNR1AMTNR1B
SCHEMBL8104774 1.00 CNR2 (0.48) CNR2CNR1SMPD1MTNR1AMTNR1B
SCHEMBL8097222 0.92 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL8104747 0.90 MTNR1A (0.59) CNR2CNR1MTNR1AMTNR1B
SCHEMBL8088386 0.90 MTNR1A (0.59) CNR2CNR1MTNR1AMTNR1B
SCHEMBL8097808 0.90 MTNR1A (0.59) CNR2CNR1MTNR1AMTNR1B
SCHEMBL8097806 0.90 MTNR1A (0.59) CNR2CNR1MTNR1AMTNR1B
SCHEMBL8104745 0.90 MTNR1A (0.59) CNR2CNR1MTNR1AMTNR1B
SCHEMBL8088384 0.90 MTNR1A (0.59) CNR2CNR1MTNR1AMTNR1B

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