SCHEMBL21940662

SCHEMBL21940662

Cc1cccc2c1CC1(CCN(C)CC1)[C@H]2N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
PTPN11 Q06124 12/20 0.37
KCNH2 Q12809 2/20 0.37
AADAT Q8N5Z0 1/20 0.35
HTR2B P41595 3/20 0.35
OPRM1 P35372 2/20 0.35
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD4 P21917 1/20 0.34
HRH2 P25021 1/20 0.34
HTR7 P34969 1/20 0.34
OPRK1 P41145 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
SCHEMBL21940878 1.00 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4PTPN11KCNH2
SCHEMBL22523798 0.85 CYP2D6 (0.41) PTPN11KCNH2AADAT
SCHEMBL24091164 0.85 KMT2A (0.40) PTPN11KCNH2AADATOPRM1OPRK1
SCHEMBL24879252 0.85 CYP2D6 (0.41) PTPN11KCNH2AADAT
SCHEMBL22523803 0.85 KCNH2 (0.41) PTPN11KCNH2AADATOPRM1
SCHEMBL24091090 0.85 KCNH2 (0.41) PTPN11KCNH2AADATOPRM1
SCHEMBL23508941 0.84 KCNH2 (0.41) PTPN11KCNH2AADAT
SCHEMBL21940606 0.84 PTPN11 (0.43) PTPN11KCNH2HTR2BADRA2A
SCHEMBL21940609 0.84 PTPN11 (0.43) PTPN11KCNH2HTR2BADRA2A
SCHEMBL24388825 0.82 SLC6A2 (0.42) SLC6A3SLC6A2SLC6A4AADATHTR2B

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