SCHEMBL7796218

SCHEMBL7796218

CCCOc1cc(OCCN2CCCCC2)c(N)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 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
SCHEMBL7796231 0.99 TDP1 (0.43) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A
SCHEMBL7795958 0.99 TDP1 (0.43) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A
SCHEMBL7796421 0.96 ALDH1A1 (0.45) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A
SCHEMBL7792226 0.96 ALDH1A1 (0.45) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A
SCHEMBL7795926 0.95 POLB (0.47) HTR2CPOLBHTR2AHTR2B
SCHEMBL7795918 0.95 LTA4H (0.44) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A
SCHEMBL7792004 0.95 ALDH1A1 (0.45) KDM4ESMN1; SMN2ADORA2AADORA1MEN1
Hydrochloric Acid SCHEMBL7792164 0.94 POLB (0.46) HTR2CPOLBHTR2AHTR2B
SCHEMBL7796456 0.94 LTA4H (0.44) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A
SCHEMBL7796117 0.94 ALDH1A1 (0.46) HTR2CKDM4ESMN1; SMN2TDP1ADORA2A

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