SCHEMBL7601937

SCHEMBL7601937

C=C(OC)c1ccc(CNC(=O)C(c2ccc(CN3N=C(c4ccccc4Cl)CCC3=O)cc2)C2CCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE3A Q14432 2/20 0.36
PDE5A O76074 1/20 0.36
TP53 P04637 2/20 0.36
PGR P06401 1/20 0.35
LMNA P02545 1/20 0.35
MCHR1 Q99705 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3B Q13370 1/20 0.34
C3AR1 Q16581 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL7606111 0.90 KMT2A (0.47) BDKRB2KMT2APDE4BPDE3ATP53
SCHEMBL13660764 0.82 TP53 (0.48) BDKRB2KMT2APDE4BPDE3ATP53
SCHEMBL7602899 0.81 LMNA (0.50) BDKRB2KMT2ATP53PGRLMNA
SCHEMBL1178312 0.79 BDKRB2 (0.37) BDKRB2KMT2APDE4BPDE4APDE4C
SCHEMBL1178782 0.77 BDKRB2 (0.40) BDKRB2KMT2ATP53
SCHEMBL7604032 0.77 PGR (0.42) BDKRB2KMT2APDE4BPDE3ATP53
Bicarbonate SCHEMBL3693843 0.76 BDKRB2 (0.41) BDKRB2TP53C3AR1
SCHEMBL1178491 0.73 MCHR1 (0.41) BDKRB2PDE4BMCHR1PDE4APDE4C
SCHEMBL1177737 0.73 MCHR1 (0.41) BDKRB2KMT2APDE4BMCHR1PDE4A
SCHEMBL7601926 0.73 BDKRB2 (0.40) BDKRB2KMT2ATP53

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-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed