SCHEMBL19851180

SCHEMBL19851180

C[C@@H](O)[C@H](N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ATM Q13315 1/20 0.52
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DPP4 P27487 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL28641490 1.00 HTT (0.52) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL28641488 1.00 HTT (0.52) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL17292388 0.89 HTT (0.50) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL15533550 0.89 HTT (0.50) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL3982522 0.85 HTT (0.52) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL17708312 0.83 HTT (0.54) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL3720687 0.83 HTT (0.54) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL4546718 0.83 HTT (0.54) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL1669097 0.81 HTT (0.55) HTTATMUSP2SMN1; SMN2ALDH1A1
SCHEMBL18294 0.78 USP2 (0.69) HTTATMUSP2SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883647-A1 C10-ALKYLENE SUBSTITUTED 13-MEMBERED MACROLIDES AND USES THEREOF Zikani Therapeutics, Inc. (US) 2021-09-29 EP disclosed
WO-2018026782-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed