SCHEMBL21940606

SCHEMBL21940606

CN1CCC2(CC1)Cc1c(Cl)cccc1[C@@H]2N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 17/20 0.43
KCNH2 Q12809 3/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTR2B P41595 1/20 0.37

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
SCHEMBL21940609 1.00 PTPN11 (0.43) PTPN11KCNH2ADRA2ACYP2D6ADRA2B
SCHEMBL22523752 0.85 CYP2D6 (0.40) PTPN11KCNH2CYP2D6
SCHEMBL24878644 0.85 CYP2D6 (0.40) PTPN11KCNH2CYP2D6
SCHEMBL22523751 0.85 KCNH2 (0.40) PTPN11KCNH2
SCHEMBL22523748 0.85 KCNH2 (0.40) PTPN11KCNH2
SCHEMBL21940878 0.84 SLC6A3 (0.38) PTPN11KCNH2ADRA2AHTR2B
SCHEMBL21940662 0.84 SLC6A3 (0.38) PTPN11KCNH2ADRA2AHTR2B
SCHEMBL23508941 0.83 KCNH2 (0.41) PTPN11KCNH2
SCHEMBL27460914 0.83 PTPN11 (0.37) PTPN11KCNH2
SCHEMBL24388825 0.81 SLC6A2 (0.42) HTR2B

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-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
WO-2020201991-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-10-08 WO disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 WO disclosed