SCHEMBL5797401

SCHEMBL5797401

CC(=O)NC1Cc2cccnc2C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
OPRL1 P41146 6/20 0.40
P2RX7 Q99572 3/20 0.40
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA9 Q16790 1/20 0.37
KCNH2 Q12809 4/20 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
SCHEMBL2454254 0.77 MTNR1A (0.53) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL2878241 0.74 OPRL1 (0.40) OPRL1P2RX7KCNH2
SCHEMBL5053493 0.73 MTNR1A (0.64) MTNR1AMTNR1BCA1CA2
SCHEMBL5053490 0.73 MTNR1A (0.64) MTNR1AMTNR1BCA1CA2
SCHEMBL1029693 0.71 MTNR1A (0.77) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL30595323 0.71 MTNR1A (0.77) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL3311831 0.70 MTNR1A (0.64) MTNR1AMTNR1BCA1CA2
SCHEMBL14012294 0.70 TRPV1 (0.52) MTNR1AMTNR1BP2RX7CA1CA2
SCHEMBL5053483 0.70 TRPV1 (0.52) MTNR1AMTNR1BP2RX7CA1CA2
SCHEMBL31678106 0.70 TRPV1 (0.52) MTNR1AMTNR1BP2RX7CA1CA2

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
WO-2006055462-A1 2-AMINO-4-FUNCTIONALIZED TETRALIN DERIVATIVES AND RELATED GLYCOGEN PHOSPHORYLASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-05-26 WO disclosed