SCHEMBL13354538

SCHEMBL13354538

C[C@H]1CNCCC1NC(=O)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 18/20 0.60
SSTR1 P30872 10/20 0.60
HPSE Q9Y251 1/20 0.36
MLYCD O95822 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
SCHEMBL25321423 1.00 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL25321427 1.00 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL12280155 1.00 SSTR4 (0.60) SSTR4SSTR1HPSEMLYCD
SCHEMBL18247483 0.87 SSTR4 (0.47) SSTR4SSTR1HPSEMLYCD
SCHEMBL18247477 0.84 SSTR4 (0.44) SSTR4SSTR1HPSE
SCHEMBL8564858 0.84 SSTR4 (0.44) SSTR4SSTR1HPSEMLYCD
Hydrochloric Acid SCHEMBL9023163 0.83 SSTR4 (0.43) SSTR4SSTR1HPSEMLYCD
Hydrochloric Acid SCHEMBL9023159 0.83 SSTR4 (0.43) SSTR4SSTR1HPSEMLYCD
Hydrochloric Acid SCHEMBL9023168 0.83 SSTR4 (0.43) SSTR4SSTR1HPSEMLYCD
Acetic Acid SCHEMBL30325502 0.82 SSTR4 (0.46) SSTR4SSTR1HPSE

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
WO-2010058846-A1 4,6-DIAMINONICOTINAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-05-27 WO disclosed