SCHEMBL27490705

SCHEMBL27490705

O=C(O)NCCc1cccc2ccc(O)cc12

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.77
MTNR1B P49286 9/20 0.77
NQO2 P16083 9/20 0.70
TRPV1 Q8NER1 2/20 0.59
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53

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
SCHEMBL4043404 0.87 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL30449793 0.87 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL5341583 0.86 MTNR1A (0.70) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL27436070 0.85 NQO2 (0.73) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL7098615 0.85 MTNR1A (0.76) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL5345535 0.85 NQO2 (0.73) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL5340676 0.84 MTNR1A (0.71) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL5349352 0.83 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL5343899 0.83 MTNR1A (0.70) MTNR1AMTNR1BNQO2TRPV1HTR2C
SCHEMBL9126868 0.83 MTNR1A (0.74) MTNR1AMTNR1BNQO2TRPV1HTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181050-C Novel substituted dimeric compounds, its preparing process and medicinal compsns. containing same ɪά��ʵ���� 2004-12-22 CN disclosed