SCHEMBL8064976

SCHEMBL8064976

COc1ccc2c(c1)C(CCNC(C)=O)CCC2c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.64
MTNR1B P49286 17/20 0.64
NQO2 P16083 14/20 0.64
HTR2C P28335 1/20 0.50

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
SCHEMBL8054181 0.86 MTNR1A (0.58) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8065694 0.84 MTNR1A (0.58) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL15346396 0.81 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4260242 0.79 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6245857 0.78 MTNR1A (0.77) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8886469 0.78 MTNR1A (0.82) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685396 0.78 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL4685402 0.78 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7950293 0.78 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7950130 0.76 MTNR1A (0.86) MTNR1AMTNR1BNQO2

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
US-6143789-A ENANTIOMORPHS ADIR ET COMPAGNIE (FR) 2000-11-07 US disclosed
EP-0919541-A1 Naphthalene compounds, process for their preparation and their pharmaceutical compositions ADIR ET COMPAGNIE (FR) 1999-06-02 EP disclosed