SCHEMBL7523781

SCHEMBL7523781

CC(C)C(=O)OC(OP(OCCC#N)N(C(C)C)C(C)C)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.37
HINT1 P49773 7/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GSK3A P49840 2/20 0.32
RPS6KA3 P51812 2/20 0.32
MAPK14 Q16539 2/20 0.32
TYMP P19971 1/20 0.32
P2RY2 P41231 1/20 0.32
P2RY4 P51582 1/20 0.32
P2RY6 Q15077 1/20 0.32
PNP P00491 1/20 0.32

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
SCHEMBL7519312 0.82 P2RX3 (0.36)
SCHEMBL7518632 0.79 POLB (0.31) POLB
SCHEMBL17279160 0.79 KDM4E (0.49) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL8667140 0.79 KDM4E (0.49) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL22702575 0.79 KDM4E (0.49) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL17231771 0.79 KDM4E (0.49) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL7529817 0.77 TAAR1 (0.35) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL3485699 0.77 HINT1 (0.49) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL5408372 0.76 TYMP (0.37) TAAR1HINT1TAS1R3TAS1R1POLB
SCHEMBL17597173 0.74 POLB (0.56) HINT1POLBKDM4EGSK3ARPS6KA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882059-B1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3-'P5'- PHOSPHORAMIDATES LYNX THERAPEUTICS INC (US) 2002-02-06 EP disclosed
EP-0882059-A1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3-'P5'- PHOSPHORAMIDATES LYNX THERAPEUTICS, INC. (US) 1998-12-09 EP disclosed
WO-1997031009-A1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3'→P5' PHOSPHORAMIDATES LYNX THERAPEUTICS, INC. (US) 1997-08-28 WO disclosed