SCHEMBL7950295

SCHEMBL7950295

O=C(O)N[C@H]1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.67
▸ TPSAB1 Q15661 5/20 0.55
▸ TPSD1 Q9BZJ3 5/20 0.55
▸ TPSG1 Q9NRR2 5/20 0.55
▸ PLG P00747 1/20 0.52
▸ PRSS1 P07477 1/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ APP P05067 1/20 0.52

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
SCHEMBL5637435 0.92 NPY1R (0.58) SRCNPY1RAPP
SCHEMBL5637803 0.86 SRC (0.52) SRCNPY1RAPP
SCHEMBL13818354 0.85 SRC (0.61) SRCTPSAB1TPSD1TPSG1
SCHEMBL5638151 0.84 SRC (0.49) SRCNPY1RAPP
SCHEMBL5640916 0.83 SRC (0.58) SRCNPY1RAPP
SCHEMBL27109640 0.82 SRC (0.64) SRCNPY1RAPP
SCHEMBL5638695 0.80 KDM4E (0.53) SRCNPY1RAPP
SCHEMBL5639237 0.79 NPY1R (0.50) SRCTPSAB1TPSD1TPSG1NPY1R
SCHEMBL5638319 0.79 L3MBTL1 (0.47) SRCNPY1RAPP
SCHEMBL13824487 0.79 SRC (0.48) SRC

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-2001068655-A2 CAPROLACTAM DERIVATIVES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
Send feedback