SCHEMBL7975304

SCHEMBL7975304

COC(=O)Cc1cc2c(s1)CCN(C(=O)[C@H](Cc1ccc(OCc3ccccc3)cc1)NC(=O)OC(C)(C)C)C2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.50
YAP1 P46937 3/20 0.48
PTPN1 P18031 2/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
BCL2 P10415 1/20 0.45
REN P00797 1/20 0.45
KMT2A Q03164 2/20 0.45
HCRTR2 O43614 2/20 0.44
P2RX7 Q99572 6/20 0.43

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
SCHEMBL7986565 0.94 ADORA1 (0.55) ADORA1YAP1PTPN1HRH2HRH1
SCHEMBL7975494 0.93 ADORA1 (0.56) ADORA1HRH2HRH1KMT2AHCRTR2
SCHEMBL7992634 0.85 HCRTR2 (0.43) ADORA1YAP1PTPN1HRH2HRH1
SCHEMBL7989016 0.84 ADORA1 (0.54) ADORA1KMT2AHCRTR2P2RX7
SCHEMBL7975784 0.82 ADORA1 (0.53) ADORA1HRH2HRH1KMT2AHCRTR2
SCHEMBL7987192 0.82 ADORA1 (0.53) ADORA1HRH2HRH1KMT2AHCRTR2
SCHEMBL7986071 0.81 ADORA1 (0.52) ADORA1KMT2AHCRTR2P2RX7
SCHEMBL7992666 0.81 ADORA1 (0.56) ADORA1HRH2HRH1KMT2AHCRTR2
SCHEMBL7975386 0.80 ADORA1 (0.53) ADORA1HRH2HRH1KMT2AHCRTR2
SCHEMBL7975232 0.80 ADORA1 (0.51) ADORA1HRH2HRH1KMT2AP2RX7

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