SCHEMBL7920985

SCHEMBL7920985

CCC(O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21)c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.33
P2RX4 Q99571 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
P2RX1 P51575 1/20 0.33
P2RX7 Q99572 1/20 0.33
CARM1 Q86X55 2/20 0.33
TRDMT1 O14717 1/20 0.33
NNMT P40261 6/20 0.33
DOT1L Q8TEK3 1/20 0.32
AHCY P23526 1/20 0.31

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
SCHEMBL7922845 0.91 CARM1 (0.33) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL6895651 0.87 AHCY (0.35) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL6898692 0.87 AHCY (0.35) CARM1TRDMT1NNMTDOT1LAHCY
SCHEMBL7050370 0.87 NNMT (0.34) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL7914645 0.87 TRDMT1 (0.37) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL4557136 0.85 NNMT (0.34) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL5501797 0.83 CARM1 (0.33) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL2109084 0.82 TRDMT1 (0.36) CARM1TRDMT1NNMTDOT1LAHCY
SCHEMBL5403467 0.82 TRDMT1 (0.35) P2RX3P2RX4P2RX2CARM1TRDMT1
SCHEMBL15879332 0.81 TRDMT1 (0.36) CARM1TRDMT1NNMTDOT1LAHCY

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
US-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed