SCHEMBL6623301

SCHEMBL6623301

O=C(OCCCOc1ccc2ncnn2n1)N1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.49
BCHE P06276 10/20 0.47
MGLL Q99685 1/20 0.43
EPHX2 P34913 1/20 0.41
CHRM2 P08172 2/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
SLC6A2 P23975 2/20 0.38
ADRA1A P35348 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP2D6 P10635 1/20 0.38
OPRM1 P35372 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK1 P28482 1/20 0.37
GRM5 P41594 1/20 0.37
GRM7 Q14831 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
SCHEMBL7006521 0.95 PARP14 (0.47) PARP14BCHEMGLLEPHX2CHRM2
SCHEMBL6623065 0.83 PARP14 (0.68) PARP14BCHECHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL6618375 0.83 MGLL (0.44) MGLLMAPK1NPC1
Fumaric Acid SCHEMBL7005729 0.82 PARP14 (0.60) PARP14BCHECHRM2HTR1AADRA2A
Fumaric Acid SCHEMBL7005726 0.82 PARP14 (0.60) PARP14BCHECHRM2HTR1AADRA2A
SCHEMBL6616803 0.82 PARP14 (0.65) PARP14BCHECHRM2HTR1AADRA2A
SCHEMBL6619253 0.82 PARP14 (0.61) PARP14BCHECHRM2HTR1AADRA2A
Fumaric Acid SCHEMBL7008391 0.82 PARP14 (0.57) PARP14BCHECHRM2HTR1AADRA2A
Fumaric Acid SCHEMBL7008395 0.82 PARP14 (0.57) PARP14BCHECHRM2HTR1AADRA2A
SCHEMBL6621938 0.81 PARP14 (0.64) PARP14BCHECHRM2HTR1AADRA2A

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 8 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
EP-1123936-B1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-12-10 EP disclosed
US-6627630-B1 Preventing or treating allergic skin diseases such as contact dermatitis, pruritus, dried dermatitis, acute urticaria prurigo and antiallergins TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-30 US disclosed
EP-1243271-A1 NASAL DROPS CONTAINING FUSED PYRIDAZINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
EP-1123936-A1 FUSED PYRIDAZINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-08-16 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