SCHEMBL7795936

SCHEMBL7795936

CCCOc1cc(OC)cc2c1-c1c(OCCC3CCCCN3)cccc1C2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
SSTR2 P30874 3/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
KCNA3 P22001 1/20 0.35
HTR2B P41595 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL7795748 0.97 CHRNB4 (0.41) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL7795875 0.95 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL7795695 0.94 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL7786122 0.94 KCNA3 (0.39) SSTR2PIM1PIM2KCNA3HTR2B
SCHEMBL7795843 0.94 KCNA3 (0.39) SSTR2PIM1PIM2KCNA3HTR2B
SCHEMBL7786284 0.93 CHRNB4 (0.39) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL7795945 0.92 CHRNB4 (0.40) CYP1A2CYP2D6CYP2C19SMN1; SMN2HIF1A
SCHEMBL7794866 0.92 SSTR2 (0.37) SSTR2PIM1PIM2KCNA3HTR2B
SCHEMBL7792135 0.91 TTR (0.37) SSTR2PIM1PIM2KCNA3HTR2B
SCHEMBL7792331 0.91 KCNA3 (0.40) CHRNB4CHRNA3KCNA3HTR2BHTR2A

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