SCHEMBL11207112

SCHEMBL11207112

CC(=O)N[C@H](Cc1ccc(N)cc1)C(=O)NCCCO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.59
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
CHRND Q07001 5/20 0.46
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
SRC P12931 1/20 0.46
AVPR1A P37288 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPRA P18433 1/20 0.45
GNPAT O15228 1/20 0.44

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
SCHEMBL10608759 0.86 CTSS (0.67) GRIA1CTSSCTSKSRCPTPN1
SCHEMBL11209498 0.83 GRIA1 (0.52) GRIA1CTSSCTSKSRCAVPR1A
SCHEMBL11207110 0.79 CTSS (0.44) GRIA1CTSSCTSKSRCGNPAT
SCHEMBL10892650 0.79 GRIA1 (0.48) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL11097657 0.79 GRIA1 (0.48) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL23933904 0.77 GRIA1 (0.70) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL23933905 0.77 GRIA1 (0.70) GRIA1CTSSCTSKCHRNDCHRNA1
SCHEMBL8407536 0.77 LMNA (0.59) CTSSCTSKGNPAT
SCHEMBL28820766 0.77 LMNA (0.59) CTSSCTSKGNPAT
SCHEMBL23933822 0.76 GRIA1 (0.69) GRIA1CTSSCTSKCHRNDCHRNA1

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
EP-0094844-A2 Drug-carrier conjugates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1983-11-23 EP disclosed