SCHEMBL7794877

SCHEMBL7794877

COc1ccc(OCCN2CCCCC2)c2c1-c1c(OCCN3CCCCC3)cccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HTR2C P28335 8/20 0.56
HTR2B P41595 4/20 0.50
HTR2A P28223 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7786161 0.99 POLB (0.58) POLBHTR2CHTR2BHTR2AMEN1
SCHEMBL7794664 0.94 HRH3 (0.55) POLBHTR2CMEN1KMT2AKDM4E
SCHEMBL7794948 0.94 POLB (0.60) POLBHTR2CHTR2BHTR2AMEN1
SCHEMBL7792228 0.93 ALDH1A1 (0.54) POLBHTR2CMEN1KMT2AKDM4E
SCHEMBL7792217 0.93 POLB (0.62) POLBHTR2CHTR2BHTR2AMEN1
SCHEMBL27493994 0.91 POLB (0.56) POLBHTR2CMEN1KMT2AGAA
SCHEMBL7786359 0.91 ALDH1A1 (0.52) POLBHTR2CMEN1KMT2AGAA
SCHEMBL7792704 0.91 SMN1; SMN2 (0.49) POLBHTR2CMEN1KMT2AGAA
SCHEMBL7786283 0.89 LTA4H (0.49) POLBHTR2CMEN1KMT2AGAA
SCHEMBL7792620 0.89 TDP1 (0.49) POLBHTR2CMEN1KMT2AGAA

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