SCHEMBL21554934

SCHEMBL21554934

COC(=O)C(O)C(Cc1c#cccc1)NC(=O)[C@@H](N)CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.37
METAP2 P50579 6/20 0.35
METAP1 P53582 5/20 0.35
AAK1 Q2M2I8 1/20 0.33
CTSC P53634 1/20 0.32

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
SCHEMBL21554935 0.81 REN (0.47) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL21526200 0.80 REN (0.47) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL21526201 0.80 REN (0.47) RENMETAP2METAP1
Hydrochloric Acid SCHEMBL20474494 0.67 BACE1 (0.46) RENMETAP2METAP1CTSC
Hydrochloric Acid SCHEMBL20474493 0.67 BACE1 (0.46) RENMETAP2METAP1CTSC
SCHEMBL21554937 0.66 TDP1 (0.44) METAP2METAP1CTSC
SCHEMBL21554938 0.66 TDP1 (0.44) METAP2METAP1CTSC
SCHEMBL28519747 0.66 TDP1 (0.44) METAP2METAP1CTSC
Hydrochloric Acid SCHEMBL21526212 0.65 TDP1 (0.43) METAP2METAP1CTSC
Hydrochloric Acid SCHEMBL21526213 0.65 TDP1 (0.43) METAP2METAP1CTSC

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-3564211-A1 DIPEPTIDYL KETOAMIDE META-METHOXYPHENYL DERIVATIVES AND USES THEREOF LANDSTEINER GENMED, S.L. (ES) 2019-11-06 EP disclosed