SCHEMBL23710451

SCHEMBL23710451

C=C(NC(C)Cc1ccccc1F)C(OC)[C@H](N)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 6/20 0.38
METAP1 P53582 6/20 0.38
SCN9A Q15858 2/20 0.35
DPP4 P27487 6/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
SLC6A4 P31645 2/20 0.35
ALDH1A1 P00352 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
FAP Q12884 1/20 0.34
DPP9 Q86TI2 1/20 0.34
CTSD P07339 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14984955 0.88 METAP2 (0.44) METAP2METAP1SCN9ADPP4ALDH1A1
SCHEMBL21928685 0.81 METAP2 (0.43) METAP2METAP1SCN9ADPP4ALDH1A1
SCHEMBL12022087 0.81 METAP2 (0.43) METAP2METAP1SCN9ADPP4ALDH1A1
SCHEMBL7355425 0.78 METAP2 (0.57) METAP2METAP1DPP4ALDH1A1DPP8
Hydrochloric Acid SCHEMBL7360183 0.78 METAP2 (0.56) METAP2METAP1DPP4ALDH1A1DPP8
SCHEMBL18596854 0.67 PKM (0.40) METAP2METAP1CTSDMEN1KMT2A
SCHEMBL23710550 0.65 CTSD (0.45) METAP2METAP1ALDH1A1CTSD
SCHEMBL15200377 0.65 METAP2 (0.48) METAP2METAP1ALDH1A1CTSDMEN1
SCHEMBL7362423 0.65 METAP2 (0.63) METAP2METAP1MEN1KMT2A
SCHEMBL14985000 0.65 METAP2 (0.57) METAP2METAP1

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