SCHEMBL3434360

SCHEMBL3434360

NOCCCN1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.51
HTR1A P08908 6/20 0.49
DRD2 P14416 6/20 0.49
HTR2A P28223 6/20 0.49
DRD3 P35462 4/20 0.49
SIGMAR1 Q99720 4/20 0.49
TMEM97 Q5BJF2 3/20 0.49
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HRH1 P35367 3/20 0.44
HRH2 P25021 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 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
Hydrochloric Acid SCHEMBL3434994 0.83 DRD2 (0.66) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL7055089 0.81 KCNH2 (0.58) KCNH2HTR1ADRD2HTR2ASIGMAR1
SCHEMBL7055358 0.75 KCNH2 (0.51) KCNH2DRD2DRD3SIGMAR1DRD5
SCHEMBL11068888 0.73 ADRB1 (0.70) KCNH2HTR1ADRD2HTR2ASIGMAR1
SCHEMBL10759040 0.72 DRD4 (0.47) KCNH2HTR1ADRD2HTR2ADRD3
SCHEMBL16795206 0.70 KCNH2 (0.49) KCNH2HTR1ADRD2HTR2ADRD3
SCHEMBL30767216 0.69 KCNH2 (0.90) KCNH2HTR1ADRD2HTR2ASIGMAR1
SCHEMBL13974919 0.69 KCNH2 (0.70) KCNH2DRD2SIGMAR1
SCHEMBL23097718 0.69 DRD2 (0.68) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL2350576 0.68 DRD2 (0.55) KCNH2DRD2DRD3HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
WO-2010149786-A1 PYRIDO [2, 3-D] PYRIMIDINES AS WNT ANTAGONISTS FOR TREATMENT OF CANCER AND ARTHRITIS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2010-12-29 WO disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed
EP-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed