SCHEMBL9829972

SCHEMBL9829972

N#CC(C#N)=C1CCC(N2CCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
HTR1D P28221 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FYN P06241 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
L3MBTL3 Q96JM7 6/20 0.32
L3MBTL1 Q9Y468 5/20 0.32

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
SCHEMBL9829970 0.68 ALDH1A1 (0.35) DRD2DRD3MEN1USP2LMNA
SCHEMBL9832753 0.67 DRD2 (0.34) DRD2DRD3
SCHEMBL10408223 0.67 ALDH1A1 (0.37) DRD2DRD3MEN1USP2LMNA
SCHEMBL9832760 0.66 HRH3 (0.34) MEN1USP2LMNAPOLBMAPT
SCHEMBL10791099 0.66 ALDH1A1 (0.37) DRD2DRD3LMNAALDH1A1SMN1; SMN2
SCHEMBL24595155 0.64 DRD2 (0.39) DRD2DRD3LMNAMAPTALDH1A1
SCHEMBL20990812 0.62 DRD2 (0.52) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL5508352 0.61 ALDH1A1 (0.60) DRD2DRD3LMNAMAPTRECQL
SCHEMBL152019 0.61 DRD3 (0.41) DRD3HTR1DL3MBTL3L3MBTL1PDCD1
SCHEMBL2786474 0.61 ALDH1A1 (0.46) DRD2DRD3ALDH1A1

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-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed