SCHEMBL30486456

SCHEMBL30486456

COC1CC2(CCN1C(=O)O)Cc1ccccc1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.43
HTR2A P28223 10/20 0.43
HTR2C P28335 10/20 0.43
HTR2B P41595 10/20 0.43
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD2 P14416 9/20 0.39
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL8312002 0.74 SIGMAR1 (0.50) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL25345704 0.73 CYP3A4 (0.49) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL25270662 0.72 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL8912704 0.71 SIGMAR1 (0.54) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL25345710 0.71 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL27457057 0.71 SIGMAR1 (0.73) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL8916017 0.71 HTR2A (0.52) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL23023988 0.69 HTR2A (0.43) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL23023989 0.69 HTR2A (0.43) SIGMAR1HTR2AHTR2CHTR2BADRA1D
SCHEMBL8674607 0.69 CRBN (0.53) SIGMAR1HTR2AHTR2CHTR2BADRA1D

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-4448526-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2024-10-23 EP disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed