SCHEMBL23129891

SCHEMBL23129891

CCCC(=O)NC1Cc2cc(OC)cc(C(=O)OCOC(=O)C(C)(C)C)c2OB1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.32
▸ MTNR1B P49286 4/20 0.32
▸ CNR1 P21554 2/20 0.30
▸ CNR2 P34972 2/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL17347827 1.00 MTNR1A (0.32) MTNR1AMTNR1BCNR1CNR2TRPV1
SCHEMBL17347674 0.93 POLB (0.30) MTNR1AMTNR1B
SCHEMBL23129647 0.93 POLB (0.30) MTNR1AMTNR1B
SCHEMBL23129994 0.92 — —
SCHEMBL23130196 0.90 PRKCB (0.32) MTNR1AMTNR1B
SCHEMBL17347755 0.90 PRKCB (0.32) MTNR1AMTNR1B
SCHEMBL17347809 0.89 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL23129657 0.89 MTNR1A (0.33) MTNR1AMTNR1B
SCHEMBL17347711 0.89 PARP1 (0.30) MTNR1AMTNR1B
SCHEMBL17347692 0.89 MTNR1A (0.30) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154989-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
Send feedback