SCHEMBL5602242

SCHEMBL5602242

c1ccn(C2CCCCCCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
PKM P14618 1/20 0.35
SLC18A3 Q16572 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL5601933 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL5601787 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL5601758 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL5600054 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL5599984 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL1901033 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL5601528 1.00 DRD2 (0.41) DRD2DRD4DRD3PKMSLC18A3
Hydrochloric Acid SCHEMBL27290402 0.97 DRD2 (0.39) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL260416 0.97 DRD2 (0.42) DRD2DRD4DRD3PKMSLC18A3
SCHEMBL5603702 0.91

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
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed