SCHEMBL6616529

SCHEMBL6616529

Cc1cc2ncnn2nc1OCCOCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 2/20 0.46
BCHE P06276 10/20 0.45
HTR1A P08908 3/20 0.42
ADRA1A P35348 3/20 0.42
CHRM2 P08172 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
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
HPGDS O60760 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRM1 P35372 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.41
HTR2A P28223 3/20 0.40
HTR6 P50406 2/20 0.40
NPC1 O15118 1/20 0.40

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
Hydrochloric Acid SCHEMBL6618531 0.91 BCHE (0.51) PARP14BCHEHTR1AADRA1ACHRM2
SCHEMBL7009347 0.86 PARP14 (0.45) PARP14BCHEHTR1AADRA1ACHRM2
SCHEMBL6621233 0.85 PARP14 (0.51) PARP14BCHEHTR1AADRA1ACHRM2
SCHEMBL6620940 0.84 ALDH1A1 (0.52) HTR1AADRA1ACHRM2ADRA2ASLC6A2
Fumaric Acid SCHEMBL6617149 0.83 BCHE (0.46) PARP14BCHEHTR1AADRA1ACHRM2
Fumaric Acid SCHEMBL6617151 0.83 BCHE (0.46) PARP14BCHEHTR1AADRA1ACHRM2
SCHEMBL6619231 0.83 BCHE (0.46) PARP14BCHEHTR1AADRA1ACHRM2
Fumaric Acid SCHEMBL6615862 0.81 BCHE (0.44) PARP14BCHEHTR1AADRA1ACHRM2
Fumaric Acid SCHEMBL6615858 0.81 BCHE (0.44) PARP14BCHEHTR1AADRA1ACHRM2
Fumaric Acid SCHEMBL7227367 0.80 BCHE (0.50) PARP14BCHEHTR1AADRA1ACHRM2

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