SCHEMBL8828643

SCHEMBL8828643

CCCNc1ncc(-c2ccccc2OCC(F)(F)F)c(N2CCNCC2)c1C(=O)N(C)OC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ GAS6 Q14393 1/20 0.33
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ KHK P50053 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL8828647 0.83 FLT3 (0.36) FLT3TYRO3MERTKGAS6HCRTR1
SCHEMBL8828637 0.74 HCRTR1 (0.34) HCRTR1HCRTR2SLC6A2SLC6A4SCN9A
SCHEMBL8828580 0.72 HTR7 (0.43) HTR7
Hydrochloric Acid SCHEMBL8828507 0.72 HTR7 (0.43) HTR7
Hydrochloric Acid SCHEMBL8828687 0.69 HTR7 (0.42) HTR7
SCHEMBL8828529 0.67 SMARCA2 (0.39) FLT3TYRO3MERTKGAS6HTR7
SCHEMBL8828686 0.66 HTR7 (0.44) HTR7
Hydrochloric Acid SCHEMBL8828552 0.66 ADRA1A (0.47) —
SCHEMBL1715116 0.63 ADRA1D (0.62) —
Hydrochloric Acid SCHEMBL9027228 0.62 ADRA1D (0.61) —

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 — — US claimed
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