SCHEMBL23710399

SCHEMBL23710399

NOC(C(=O)NCc1cccc2ccccc12)C(N)CC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 10/20 0.53
METAP1 P53582 6/20 0.53
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRM1 Q13255 1/20 0.48
EPHX1 P07099 1/20 0.43
ACP3 P15309 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL14984962 0.91 METAP2 (0.55) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL19309026 0.89 METAP2 (0.53) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL12022117 0.89 METAP2 (0.53) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL7356908 0.86 METAP2 (0.70) METAP2METAP1CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7355712 0.85 METAP2 (0.69) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL5534127 0.80 CHRNB2 (0.50) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL5518458 0.75 CTSS (0.53) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL14984958 0.73 METAP2 (0.76) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL12022088 0.72 METAP2 (0.74) METAP2METAP1CHRNB2CHRNB4CHRNA3
SCHEMBL21017020 0.72 METAP2 (0.74) METAP2METAP1CHRNB2CHRNB4CHRNA3

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-3858385-A2 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF Syndevrx, Inc. (US) 2021-08-04 EP disclosed