SCHEMBL10143365

SCHEMBL10143365

O=C(NCCC1CNc2ccccc21)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCCNBI)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 12/20 0.35
▸ FPR2 P25090 1/20 0.32
▸ CPB2 Q96IY4 1/20 0.31
▸ NMT1 P30419 6/20 0.30
▸ NMT2 O60551 5/20 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
SCHEMBL10144454 0.90 CA1 (0.36) AR
SCHEMBL10144436 0.84 CPB2 (0.40) CPB2NMT1NMT2
SCHEMBL10143364 0.83 CTSL (0.33) FPR2
SCHEMBL10144457 0.83 CA1 (0.37) FPR2
SCHEMBL10143783 0.83 CA1 (0.35) AR
SCHEMBL10143366 0.82 AR (0.37) ARCPB2NMT1NMT2
SCHEMBL10143784 0.76 CA1 (0.37) —
SCHEMBL10143385 0.73 MDM2 (0.38) AR
SCHEMBL10144209 0.67 TLR2 (0.39) FPR2
SCHEMBL10144208 0.66 TLR2 (0.40) —

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 — — WO disclosed
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