SCHEMBL23129670

SCHEMBL23129670

CC(=O)NCCCC(=O)NC1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.36
▸ DRD3 P35462 2/20 0.35
▸ MTNR1A P48039 8/20 0.34
▸ MTNR1B P49286 4/20 0.34
▸ MAPT P10636 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL17347384 1.00 NAMPT (0.36) NAMPTDRD3MTNR1AMTNR1BMAPT
SCHEMBL17337254 0.94 MTNR1A (0.35) NAMPTDRD3MTNR1AMTNR1BL3MBTL1
SCHEMBL17337256 0.94 MTNR1A (0.35) NAMPTDRD3MTNR1AMTNR1BL3MBTL1
SCHEMBL17337109 0.89 MAPT (0.35) MTNR1AMTNR1BMAPT
SCHEMBL17337050 0.89 MAPT (0.35) MTNR1AMTNR1BMAPT
SCHEMBL17337131 0.86 PARP1 (0.33) MTNR1AMTNR1BMAPT
SCHEMBL17337126 0.86 PARP1 (0.33) MTNR1AMTNR1BMAPT
SCHEMBL17337294 0.86 CA12 (0.33) MAPT
SCHEMBL23129924 0.86 CA12 (0.33) MAPT
SCHEMBL18797957 0.85 MAPT (0.36) MAPT

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