SCHEMBL8088677

SCHEMBL8088677

Cc1cccc(C2CC2CNC(=O)C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.52
SLC6A4 P31645 2/20 0.52
HTR2A P28223 2/20 0.52
HTR2B P41595 2/20 0.52
SLC6A3 Q01959 1/20 0.52
MTNR1A P48039 9/20 0.50
MTNR1B P49286 9/20 0.50
CNR1 P21554 1/20 0.41
F2 P00734 1/20 0.39
LPAR2 Q9HBW0 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
IDO1 P14902 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL8088680 1.00 HTR2C (0.52) HTR2CSLC6A4HTR2AHTR2BSLC6A3
SCHEMBL8098166 0.86 HTR2C (0.51) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8098167 0.86 HTR2C (0.51) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8098497 0.85 HTR2C (0.56) HTR2CSLC6A4HTR2AHTR2BSLC6A3
SCHEMBL8098498 0.85 HTR2C (0.56) HTR2CSLC6A4HTR2AHTR2BSLC6A3
SCHEMBL8088502 0.84 HTR2A (0.56) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8088503 0.84 HTR2A (0.56) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8102259 0.83 HTR2C (0.54) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8102256 0.83 HTR2C (0.54) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL8095382 0.81 MTNR1B (0.52) HTR2CSLC6A4HTR2AHTR2BSLC6A3

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