SCHEMBL7795780

SCHEMBL7795780

COc1cc(OC(C)C2CCCN2)c(N)c2c1-c1c(OC(C)C3CCCN3)cccc1C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
P2RY2 P41231 2/20 0.35
P2RY4 P51582 2/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ADORA2A P29274 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
FGB P02675 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34
RAB9A P51151 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
EGFR P00533 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
SCHEMBL7792699 0.98 PDCD1LG2 (0.35) PDCD1LG2CD274P2RY2P2RY4MEN1
SCHEMBL7796354 0.97 SLC6A3 (0.37) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL7795905 0.93 TTR (0.36) PDCD1LG2CD274P2RY2P2RY4MEN1
SCHEMBL7795920 0.91 CHRNB4 (0.34) PDCD1LG2CD274P2RY2P2RY4SLC6A2
SCHEMBL7796488 0.91 TTR (0.36) PDCD1LG2CD274P2RY2P2RY4MEN1
Hydrochloric Acid SCHEMBL7792171 0.90 CHRNB4 (0.34) PDCD1LG2CD274P2RY2P2RY4MEN1
SCHEMBL7795886 0.89 TTR (0.37) PDCD1LG2CD274P2RY2SLC6A2SLC6A4
SCHEMBL7796237 0.88 HTR2A (0.36) P2RY2
SCHEMBL7792460 0.87 TTR (0.37) PDCD1LG2CD274P2RY2SLC6A2SLC6A4
SCHEMBL7786168 0.87 MEN1 (0.47) PDCD1LG2CD274MEN1KMT2AADORA2A

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed