SCHEMBL8097739

SCHEMBL8097739

COc1ccc(F)c([C@@H]2C[C@H]2CNC(=O)C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.52
MTNR1A P48039 8/20 0.48
MTNR1B P49286 8/20 0.48
NQO2 P16083 3/20 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
SCHEMBL8097737 1.00 FFAR1 (0.52) FFAR1MTNR1AMTNR1BNQO2
SCHEMBL8088502 0.79 HTR2A (0.56) FFAR1MTNR1AMTNR1BNQO2
SCHEMBL8088503 0.79 HTR2A (0.56) FFAR1MTNR1AMTNR1BNQO2
SCHEMBL8102751 0.74 HTR2C (0.60)
SCHEMBL8102755 0.74 HTR2C (0.60)
SCHEMBL8333820 0.71 FFAR1 (0.42) FFAR1MTNR1AMTNR1B
SCHEMBL8104735 0.71 HTR2A (0.47) FFAR1MTNR1AMTNR1B
SCHEMBL8104739 0.71 HTR2A (0.47) FFAR1MTNR1AMTNR1B
SCHEMBL8098166 0.71 HTR2C (0.51) MTNR1AMTNR1B
SCHEMBL8098167 0.71 HTR2C (0.51) MTNR1AMTNR1B

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