SCHEMBL7795918

SCHEMBL7795918

CCCCOc1cc(OCCN2CCCCC2)c(N)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
ADORA2A P29274 3/20 0.43
ADORA1 P30542 3/20 0.43
HTR2C P28335 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
ADORA2B P29275 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPM2 O94759 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7796456 0.99 LTA4H (0.44) LTA4HADORA2AADORA1HTR2CKDM4E
SCHEMBL7794777 0.96 HRH3 (0.46) ADORA2AADORA1KDM4EHRH3ADORA2B
SCHEMBL7796218 0.95 HTR2C (0.44) ADORA2AADORA1HTR2CKDM4ESMN1; SMN2
SCHEMBL7792690 0.95 HRH3 (0.45) ADORA2AADORA1KDM4ESMN1; SMN2HRH3
SCHEMBL7796231 0.94 TDP1 (0.43) ADORA2AADORA1HTR2CKDM4ESMN1; SMN2
SCHEMBL7795958 0.94 TDP1 (0.43) ADORA2AADORA1HTR2CKDM4ESMN1; SMN2
SCHEMBL7796117 0.93 ALDH1A1 (0.46) ADORA2AADORA1HTR2CKDM4ESMN1; SMN2
SCHEMBL7792004 0.92 ALDH1A1 (0.45) ADORA2AADORA1KDM4ESMN1; SMN2HRH3
SCHEMBL7792444 0.92 ALDH1A1 (0.47) ADORA2AADORA1HTR2CKDM4ESMN1; SMN2
SCHEMBL7795879 0.92 ALDH1A1 (0.47) ADORA2AADORA1HTR2CKDM4ESMN1; SMN2

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