SCHEMBL7470852

SCHEMBL7470852

CCCCOc1ccc2c(c1)C(N)CC(C)(C)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 7/20 0.47
KCNQ1 P51787 7/20 0.47
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTR1A P08908 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 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
SCHEMBL6559235 0.87 KCNE1 (0.52) KCNE1KCNQ1PTPN1ALDH1A1KDM4E
SCHEMBL3589162 0.82 HTR2B (0.46) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6601951 0.81 MAOB (0.53) KCNE1KCNQ1ALDH1A1HPGDNPSR1
Hydrochloric Acid SCHEMBL6559487 0.81 HTR2B (0.45) ALDH1A1KDM4EMEN1KMT2AHTR1A
SCHEMBL7464900 0.77 KCNE1 (0.52) KCNE1KCNQ1PTPN1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6558668 0.75 CA2 (0.37) KCNE1KCNQ1ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL6560785 0.75 PARP1 (0.35) ALDH1A1NPSR1HTR1AHTR2BSIGMAR1
SCHEMBL7910194 0.74 NCF1 (0.38) KCNE1KCNQ1PTPN1ALDH1A1KDM4E
SCHEMBL7479500 0.74 HTR2C (0.42) KDM4EMEN1KMT2AHTR1AHTR2B
SCHEMBL6024969 0.73 BACE1 (0.37) ALDH1A1HTR2BHTTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed