SCHEMBL8363330

SCHEMBL8363330

CC(C1CCCNC1=O)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR2 P41597 5/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MMP1 P03956 3/20 0.31
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP8 P22894 1/20 0.30
TOP2A P11388 1/20 0.30
TOP2B Q02880 1/20 0.30

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
SCHEMBL12210573 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1CCR2MMP1
SCHEMBL10160076 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1CCR2MMP1
SCHEMBL6734281 0.77 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1CCR2MMP1
SCHEMBL12875886 0.72 CCR2 (0.41) L3MBTL1KDM4EALDH1A1CCR2MMP1
SCHEMBL3397946 0.72 CCR2 (0.41) L3MBTL1KDM4EALDH1A1CCR2MMP1
SCHEMBL6732580 0.71 L3MBTL1 (0.42) L3MBTL1KDM4EALDH1A1CCR2POLB
SCHEMBL28358586 0.70 HTT (0.39) L3MBTL1KDM4EALDH1A1CCR2MMP1
SCHEMBL23835858 0.69 CCR2 (0.43) L3MBTL1KDM4EALDH1A1CCR2
SCHEMBL24019640 0.68 CCR2 (0.39) L3MBTL1KDM4EALDH1A1CCR2
SCHEMBL6079957 0.67 SLC6A2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed