SCHEMBL7791992

SCHEMBL7791992

CN(C)CCOc1cccc2c1C(=O)c1cccc(OCCN(C)C)c1-2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.54
KCNA3 P22001 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR1B P28222 1/20 0.50
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
TERT O14746 1/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44

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
Hydrochloric Acid SCHEMBL11606266 0.91 KCNA3 (0.61) HTR7KCNA3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8517442 0.87 KCNA3 (0.54) HTR7KCNA3ALDH1A1KDM4E
SCHEMBL7791786 0.85 KCNA3 (0.50) KCNA3ALDH1A1KDM4EHTR1BTERT
SCHEMBL11604034 0.85 KCNA3 (0.65) HTR7KCNA3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL9539542 0.84 ALDH1A1 (0.54) HTR7KCNA3ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL11604535 0.84 KCNA3 (0.63) HTR7KCNA3ALDH1A1KDM4EHTR1B
SCHEMBL7786384 0.82 MAPT (0.52) HTR7KCNA3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7792612 0.82 KCNA3 (0.51) HTR7KCNA3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8380843 0.81 TTR (0.49) KCNA3ALDH1A1KDM4EHTR1BTERT
SCHEMBL7795728 0.81 KCNA3 (0.52) KCNA3ALDH1A1KDM4EHTR1BTERT

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