SCHEMBL31048320

SCHEMBL31048320

CN(C[C@@H]1COCCCN1Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.41
HTR2C P28335 2/20 0.41
SLC6A4 P31645 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
BCHE P06276 2/20 0.38
LTA4H P09960 2/20 0.38
DDR1 Q08345 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL31048352 0.80 KMT2A (0.47) OPRD1KMT2AL3MBTL1
SCHEMBL8542695 0.76 OPRD1 (0.54) OPRD1KMT2AL3MBTL1LTA4H
SCHEMBL3696856 0.74 OPRD1 (0.41) OPRD1KMT2AL3MBTL1LTA4H
SCHEMBL6176496 0.74 KMT2A (0.47) OPRD1KMT2AL3MBTL1
SCHEMBL6176499 0.74 KMT2A (0.47) OPRD1KMT2AL3MBTL1
SCHEMBL26371335 0.74 BCHE (0.47) HTR2CSLC6A4BCHEACHE
SCHEMBL31048186 0.73 SPHK2 (0.49)
SCHEMBL27043867 0.73 L3MBTL1 (0.46) HTR2CSLC6A4KMT2AL3MBTL1BCHE
SCHEMBL30835194 0.73 HTR2C (0.42) HTR2CSLC6A4KMT2AL3MBTL1BCHE
SCHEMBL1189609 0.72 LTA4H (0.44) OPRD1LTA4HPOLB

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
WO-2024178304-A1 KRAS MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-08-29 WO disclosed