SCHEMBL9704945

SCHEMBL9704945

CC1(C)Oc2cccc(OCCCN(CCCCl)CCCOc3cccc4c3OC(C)(C)O4)c2O1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HTR1A P08908 1/20 0.41
HTR1B P28222 4/20 0.36
MTNR1A P48039 4/20 0.33
HTR1D P28221 1/20 0.33
HRH1 P35367 1/20 0.30

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
SCHEMBL9705995 0.88 ALDH1A1 (0.46) ALDH1A1HTR1AHTR1BMTNR1AHTR1D
SCHEMBL9706011 0.85 ALDH1A1 (0.52) ALDH1A1HTR1AMTNR1A
SCHEMBL9705345 0.85 ALDH1A1 (0.43) ALDH1A1HTR1AHTR1BMTNR1AHTR1D
SCHEMBL9704794 0.85 ALDH1A1 (0.41) ALDH1A1HTR1AHTR1BMTNR1AHTR1D
SCHEMBL9705320 0.84 KDM4E (0.43) ALDH1A1HTR1AHTR1B
SCHEMBL9705343 0.83 MAPT (0.44) ALDH1A1HTR1A
SCHEMBL9704917 0.83 ALDH1A1 (0.41) ALDH1A1HTR1AHTR1BMTNR1AHTR1D
SCHEMBL9705998 0.82 HTR1A (0.41) ALDH1A1HTR1AHTR1BMTNR1A
SCHEMBL9705277 0.81 ALDH1A1 (0.48) ALDH1A1HTR1AMTNR1A
SCHEMBL9704939 0.81 ALDH1A1 (0.46) ALDH1A1HTR1AHTR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474323-A1 Reducing chelants, their complexes with technetium and rhenium, method for their preparation and their use in diagnosis and therapy INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH, c/o FU KLINIKUM RUDOLF VIRCHOW (DE) 1992-03-11 EP disclosed