SCHEMBL9705343

SCHEMBL9705343

CC1(C)Oc2cccc(OCCCN(CCCOc3cccc4c3OC(C)(C)O4)Cc3ccc(N)cc3)c2O1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.33
BCHE P06276 1/20 0.31

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
SCHEMBL9704945 0.83 ALDH1A1 (0.44) HTR1AALDH1A1
Hydrochloric Acid SCHEMBL9705271 0.82 HTR1A (0.38) HTR1AALDH1A1BCHE
SCHEMBL9705995 0.80 ALDH1A1 (0.46) HTR1AALDH1A1
SCHEMBL9704917 0.79 ALDH1A1 (0.41) HTR1AALDH1A1
SCHEMBL9705320 0.78 KDM4E (0.43) HTR1AALDH1A1BCHE
SCHEMBL9706011 0.77 ALDH1A1 (0.52) HTR1AALDH1A1LMNA
SCHEMBL9704794 0.77 ALDH1A1 (0.41) HTR1AALDH1A1
SCHEMBL9705345 0.77 ALDH1A1 (0.43) HTR1AALDH1A1
SCHEMBL9705998 0.76 HTR1A (0.41) HTR1AALDH1A1
SCHEMBL9705277 0.76 ALDH1A1 (0.48) MAPTHTR1AALDH1A1

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