SCHEMBL6623065

SCHEMBL6623065

c1ccc(C(OC2CCN(CCCOc3ccc4ncnn4n3)CC2)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.68
BCHE P06276 10/20 0.52
HPGDS O60760 1/20 0.48
CHRM2 P08172 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
SLC6A2 P23975 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KCNH2 Q12809 2/20 0.44
CYP2D6 P10635 1/20 0.44
OPRM1 P35372 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 1/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 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
SCHEMBL6616803 0.97 PARP14 (0.65) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL6621938 0.96 PARP14 (0.64) PARP14BCHEHPGDSCHRM2HTR1A
SCHEMBL6619253 0.95 PARP14 (0.61) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7005726 0.93 PARP14 (0.60) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7005729 0.93 PARP14 (0.60) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7008395 0.90 PARP14 (0.57) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7008391 0.90 PARP14 (0.57) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7006840 0.90 PARP14 (0.56) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7006837 0.90 PARP14 (0.56) PARP14BCHEHPGDSCHRM2HTR1A
Fumaric Acid SCHEMBL7004705 0.88 PARP14 (0.54) PARP14BCHEHPGDSCHRM2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979231-B1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-11-24 EP disclosed
US-6248740-B1 FOR SUPPRESSION OF HISTAMINE OR EOSINOPHIL CHEMOTAXIS TO TREAT ASTHMA; ANTIALLERGENIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 US disclosed
EP-0979231-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998049167-A1 CONDENSED PYRIDAZINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed