SCHEMBL31228353

SCHEMBL31228353

CO[C@@H](C)c1ncc(N2CCN(C(=O)OCc3ccccc3)CC2)cc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.47
SIGMAR1 Q99720 10/20 0.47
HRH1 P35367 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
HRH2 P25021 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR1E P28566 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR2B P41595 1/20 0.47
GRIN2B Q13224 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL23296608 0.90 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL23296610 0.90 TMEM97 (0.47) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL31133626 0.87 TMEM97 (0.44) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL31133683 0.85 TMEM97 (0.42) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL23338593 0.83 NR1H2 (0.49) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL27143761 0.83 NR1H2 (0.49) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL25889397 0.83 TMEM97 (0.49) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL31703372 0.82 TMEM97 (0.48) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL34468365 0.79 FNTA (0.42) TMEM97SIGMAR1HRH1HRH3HTR1A
SCHEMBL34468453 0.79 HDAC1 (0.43) TMEM97SIGMAR1HRH1HRH3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4688789-A1 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2026-02-11 EP disclosed
WO-2024211663-A9 MACROCYCLIC RAS INHIBITORS Revolution Medicines, Inc. (US) 2025-01-30 WO disclosed
WO-2024211663-A1 CONDENSED MACROCYCLIC COMPOUNDS AS RAS INHIBITORS Revolution Medicines, Inc. (US) 2024-10-10 WO disclosed