SCHEMBL3508760

SCHEMBL3508760

CC(C)N(C(=O)O)c1ccc2c(N(C)CCN3CCOCC3)noc2c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.39
▸ HTR7 P34969 13/20 0.39
▸ KCNH2 Q12809 10/20 0.39
▸ DRD2 P14416 7/20 0.39
▸ CASR P41180 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38

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
SCHEMBL3504376 0.80 GRM4 (0.41) HTR2AHTR7KCNH2ALDH1A1
SCHEMBL3508765 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9085384 0.78 POLB (0.47) CASRALDH1A1
SCHEMBL6951008 0.78 HRH3 (0.41) HTR2AHTR7KCNH2DRD2ALDH1A1
SCHEMBL6956977 0.77 ACHE (0.39) HTR2ADRD2CASRALDH1A1
SCHEMBL3505500 0.77 ALDH1A1 (0.43) ALDH1A1
SCHEMBL3505067 0.76 ACHE (0.40) HTR2AKCNH2DRD2ALDH1A1
SCHEMBL3505169 0.76 CASR (0.42) HTR2AHTR7KCNH2CASRALDH1A1
SCHEMBL3505352 0.76 LMNA (0.42) HTR2AHTR7DRD2ALDH1A1
SCHEMBL8947062 0.75 ACHE (0.42) ALDH1A1

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
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
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