SCHEMBL8104747

SCHEMBL8104747

CCCC(=O)NCC1CC1c1cccc(OCCCCCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.59
MTNR1B P49286 10/20 0.59
CNR2 P34972 5/20 0.50
CNR1 P21554 3/20 0.50
HPGD P15428 1/20 0.47
TAAR1 Q96RJ0 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
SCHEMBL8088386 1.00 MTNR1A (0.59) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8088384 1.00 MTNR1A (0.59) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8097808 1.00 MTNR1A (0.59) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8097806 1.00 MTNR1A (0.59) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8104745 1.00 MTNR1A (0.59) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8098444 0.99 MTNR1A (0.60) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8098442 0.99 MTNR1A (0.60) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8104382 0.96 MTNR1A (0.58) MTNR1AMTNR1BCNR2CNR1HPGD
SCHEMBL8096172 0.93 MTNR1A (0.55) MTNR1AMTNR1BHPGDTAAR1
SCHEMBL8096171 0.93 MTNR1A (0.55) MTNR1AMTNR1BHPGDTAAR1

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 2 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 disclosed
EP-0747346-A2 N-acyl-2 aryl cyclopropylmethylamine derivatives as melatonergics BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed