SCHEMBL21940872

SCHEMBL21940872

CN1CC2(Cc3ccccc3[C@@H]2N)C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 14/20 0.39
HTR2A P28223 1/20 0.37
KCNH2 Q12809 3/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL21940874 1.00 PTPN11 (0.39) PTPN11HTR2AKCNH2SLC6A2SLC6A4
SCHEMBL21940659 0.85 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24388823 0.85 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL23046087 0.85 PTPN11 (0.47) PTPN11KCNH2
SCHEMBL24091153 0.82 PTPN11 (0.40) PTPN11HTR2AKCNH2
SCHEMBL25699157 0.82 PTPN11 (0.37) PTPN11HTR2AKCNH2
SCHEMBL25523410 0.80 HTR2A (0.43) PTPN11HTR2AKCNH2
Hydrochloric Acid SCHEMBL29804135 0.78 HTR2A (0.42) PTPN11HTR2AKCNH2
SCHEMBL24672585 0.78 SLC6A4 (0.49) PTPN11KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL21397423 0.75 HTR2A (0.39) HTR2A

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-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed