SCHEMBL23129896

SCHEMBL23129896

CCC(=O)NC1Cc2ccc(F)c(C(=O)OCOC(=O)C(C)(C)C)c2OB1O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.32
▸ MTNR1B P49286 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CYP11B2 P19099 5/20 0.30
▸ CYP11B1 P15538 3/20 0.30
▸ CAT P04040 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
SCHEMBL17347830 1.00 MTNR1A (0.32) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL23129893 0.93 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL17347688 0.93 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL17347742 0.91 CAT (0.31) CAT
SCHEMBL23129920 0.91 CAT (0.31) CAT
SCHEMBL18662420 0.90 — —
SCHEMBL18662422 0.90 — —
SCHEMBL23129902 0.90 PRKCB (0.33) MTNR1AMTNR1B
SCHEMBL17347825 0.90 PRKCB (0.33) MTNR1AMTNR1B
SCHEMBL19663665 0.90 MTNR1A (0.31) 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
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