SCHEMBL7795916

SCHEMBL7795916

O=C1c2ccc(OCN3CCCC3)cc2-c2c(OCN3CCCC3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.51
ALDH1A1 P00352 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K1 Q02750 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADORA1 P30542 6/20 0.41
KCNA3 P22001 1/20 0.41
HRH3 Q9Y5N1 8/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 3/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TTR P02766 1/20 0.39
NSD2 O96028 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38

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
SCHEMBL7786073 0.99 ADORA2A (0.53) ADORA2AALDH1A1EGFRRAF1MAPT
SCHEMBL7796428 0.89 ADORA2A (0.43) ADORA2AALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL7786407 0.85 HRH3 (0.56) ADORA2AADORA1HRH3HTR3EHTR3B
SCHEMBL7794749 0.84 HRH3 (0.57) ADORA2AADORA1KCNA3HRH3ADORA3
SCHEMBL7786169 0.84 HRH3 (0.58) ADORA2AADORA1HRH3ADORA3ADORA2B
SCHEMBL7792591 0.83 HRH3 (0.59) ADORA2AL3MBTL1ADORA1HRH3ADORA3
SCHEMBL7794714 0.83 HRH3 (0.53) ADORA2AALDH1A1ADORA1KCNA3HRH3
SCHEMBL7795910 0.83 KCNA3 (0.44) ADORA2AALDH1A1EGFRRAF1MAPT
SCHEMBL7786474 0.82 HRH3 (0.55) ADORA2AALDH1A1ADORA1KCNA3HRH3
SCHEMBL7796295 0.81 TERT (0.44) ADORA2AALDH1A1EGFRRAF1MAPT

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
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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed