SCHEMBL7792385

SCHEMBL7792385

COc1ccc2c(c1)C(=O)c1cccc(OCCCN3CCCC3)c1-2

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
KCNH2 Q12809 1/20 0.55
ESR1 P03372 2/20 0.54
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTPN1 P18031 2/20 0.52
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL27514560 0.98 HRH3 (0.53) HRH3KCNH2ESR1ALDH1A1KMT2A
SCHEMBL7792114 0.94 ESR1 (0.53) ESR1PTPN1
SCHEMBL7792033 0.94 ESR1 (0.54) ESR1PTPN1
SCHEMBL7796403 0.90 HRH3 (0.53) HRH3KCNH2ALDH1A1KDM4E
SCHEMBL7791989 0.90 ALDH1A1 (0.53) HRH3KCNH2ALDH1A1KDM4E
SCHEMBL7794709 0.89 HRH3 (0.55) HRH3KCNH2ALDH1A1KDM4E
SCHEMBL7792408 0.89 HRH3 (0.52) HRH3KCNH2ALDH1A1KDM4E
SCHEMBL7796613 0.89 HRH3 (0.52) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL7786095 0.88 HRH3 (0.54) HRH3KCNH2ALDH1A1KMT2AKDM4E
SCHEMBL7794749 0.88 HRH3 (0.57) HRH3KCNH2

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