SCHEMBL7950799

SCHEMBL7950799

O=C(N[C@H]1CCCCN(CCCc2ccccc2)C1=O)c1ccc(OP(=O)(O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 19/20 1.00
▸ TPSAB1 Q15661 1/20 0.50
▸ TPSD1 Q9BZJ3 1/20 0.50
▸ TPSG1 Q9NRR2 1/20 0.50

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
SCHEMBL7950774 0.83 SRC (1.00) SRC
SCHEMBL7952367 0.83 SRC (1.00) SRC
SCHEMBL7949011 0.81 SRC (1.00) SRCTPSAB1TPSD1TPSG1
SCHEMBL7949008 0.81 SRC (1.00) SRCTPSAB1TPSD1TPSG1
SCHEMBL7952607 0.78 SRC (0.85) SRC
SCHEMBL7954611 0.75 SRC (1.00) SRC
SCHEMBL7954616 0.75 SRC (0.81) SRC
SCHEMBL7952369 0.73 SRC (0.60) SRC
SCHEMBL7954622 0.70 SRC (0.87) SRC
SCHEMBL7950229 0.70 SRC (0.78) 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 2 patents. 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 claimed
WO-2001068655-A2 CAPROLACTAM DERIVATIVES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2001-09-20 — — WO disclosed
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