SCHEMBL7794708

SCHEMBL7794708

CCCOc1cc(OCCCN2CCOCC2)c(N)c2c1-c1c(OCCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.47
TSHR P16473 3/20 0.47
CYP2D6 P10635 2/20 0.47
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
SCN1A P35498 1/20 0.45
HTR2B P41595 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN2A Q99250 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
SCN3A Q9NY46 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CHEK1 O14757 1/20 0.44
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.43

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
SCHEMBL7794778 0.96 MAPK1 (0.50) USP2TSHRCYP2D6KDM4EMAPK1
SCHEMBL7786118 0.95 KDM4E (0.46) TSHRKDM4EHTR2BFLT3KMT2A
SCHEMBL7792297 0.95 KDM4E (0.46) TSHRKDM4EHTR2BFLT3KMT2A
SCHEMBL7794711 0.94 KDM4E (0.47) USP2TSHRCYP2D6KDM4EMAPK1
SCHEMBL7786497 0.92 KDM4E (0.44) USP2TSHRKDM4EALDH1A1HTR2B
SCHEMBL7792051 0.92 KDM4E (0.44) USP2TSHRKDM4EALDH1A1HTR2B
SCHEMBL7794776 0.92 TSHR (0.55) USP2TSHRCYP2D6KDM4ECYP1A2
SCHEMBL7792725 0.92 KDM4E (0.45) USP2TSHRCYP2D6KDM4EMAPK1
SCHEMBL7786092 0.92 HTR2C (0.46) TSHRCYP2D6KDM4EALDH1A1HTR2A
SCHEMBL7792361 0.91 CYP2D6 (0.44) CYP2D6KDM4EALDH1A1HRH3CYP2C19

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