SCHEMBL7986071

SCHEMBL7986071

CCOC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
PABPC1 P11940 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
P2RX7 Q99572 1/20 0.41
FPR1 P21462 4/20 0.40
FPR2 P25090 4/20 0.40
KMT2A Q03164 2/20 0.40
SCN9A Q15858 1/20 0.40
MAPK1 P28482 1/20 0.38
PTPRB P23467 1/20 0.38
HCRTR2 O43614 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7992607 0.93 ADORA1 (0.46) ADORA1PABPC1P2RX7FPR1FPR2
SCHEMBL7986065 0.92 ADORA1 (0.51) ADORA1PABPC1P2RX7KMT2AMAPK1
SCHEMBL7992666 0.92 ADORA1 (0.56) ADORA1P2RX7KMT2AMAPK1PTPRB
SCHEMBL7992050 0.91 ADORA1 (0.52) ADORA1KMT2AMAPK1PTPRBHCRTR2
SCHEMBL7975232 0.90 ADORA1 (0.51) ADORA1CTSSCTSKP2RX7FPR1
SCHEMBL7985657 0.90 ADORA1 (0.50) ADORA1PABPC1P2RX7FPR1FPR2
SCHEMBL7985559 0.90 ADORA1 (0.50) ADORA1P2RX7KMT2AMAPK1PTPRB
SCHEMBL7986565 0.88 ADORA1 (0.55) ADORA1P2RX7KMT2A
SCHEMBL7975386 0.87 ADORA1 (0.53) ADORA1PABPC1FPR2KMT2AMAPK1
SCHEMBL7989016 0.86 ADORA1 (0.54) ADORA1PABPC1P2RX7FPR2KMT2A

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
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed