SCHEMBL13796830

SCHEMBL13796830

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccc(O)c(C(C)(C)C)c1)c1nccs1)N(C)C(=O)[C@@H](N)Cc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 1/20 0.35
ADRB3 P13945 1/20 0.34
ALOX12 P18054 2/20 0.33
ALOX15 P16050 1/20 0.33
CCR3 P51677 1/20 0.32
SLC6A9 P48067 1/20 0.31
ACACB O00763 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
SCHEMBL3987569 1.00 PTPRB (0.35) PTPRBADRB3ALOX12ALOX15CCR3
SCHEMBL3989372 0.84 PTPRB (0.38) PTPRBADRB3ALOX12
SCHEMBL13796746 0.84
SCHEMBL3991875 0.84
SCHEMBL3995019 0.83 PTPRB (0.38) PTPRBADRB3ALOX12ALOX15CCR3
SCHEMBL3989191 0.82 GPR142 (0.31)
SCHEMBL13796441 0.82
SCHEMBL13795620 0.82 GPR142 (0.31)
SCHEMBL3989402 0.82
SCHEMBL3988530 0.82 PTPRB (0.36) PTPRBADRB3CCR3SLC6A9

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-7553969-B1 Substituted phenethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-06-30 US disclosed