SCHEMBL7227564

SCHEMBL7227564

c1ccc(C(OC2CCN(CCCNc3ccc4nncn4n3)CC2)c2ccccc2)cc1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.94
TSHR P16473 1/20 0.57
KDM4E B2RXH2 1/20 0.49
HPGDS O60760 1/20 0.48
BCHE P06276 10/20 0.45
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CHRM2 P08172 2/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
SLC6A2 P23975 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 1/20 0.42
OPRM1 P35372 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL7233388 0.97 PARP14 (1.00) PARP14TSHRKDM4EHPGDSBCHE
SCHEMBL6631009 0.96 PARP14 (0.98) PARP14TSHRKDM4EHPGDSBCHE
SCHEMBL6616823 0.81 PARP14 (0.65) PARP14HPGDSBCHEMAPK1HSD17B10
SCHEMBL7097307 0.81 PARP14 (0.65) PARP14TSHRHPGDSBCHEMAPK1
Hydrochloric Acid SCHEMBL7477351 0.81 PARP14 (0.65) PARP14TSHRHPGDSBCHEMAPK1
SCHEMBL6633296 0.81 PARP14 (0.93) PARP14HPGDSBCHEMAPK1CHRM2
SCHEMBL6631323 0.81 PARP14 (0.65) PARP14HPGDSBCHEMAPK1HSD17B10
SCHEMBL6634683 0.81 PARP14 (0.64) PARP14HPGDSBCHEMAPK1HSD17B10
SCHEMBL5390600 0.80 PARP14 (0.64) PARP14HPGDSBCHEMAPK1HSD17B10
SCHEMBL7235615 0.80 PARP14 (0.64) PARP14HPGDSBCHEMAPK1HSD17B10

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-6610694-B1 Suppressing histamine and/or eosinophil chemotaxis; treating allergic diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-26 US disclosed
EP-1120418-A1 FUSED PYRIDAZINE COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed