SCHEMBL5607666

SCHEMBL5607666

CCn1nc(C(=O)OC(C)c2ccncc2)cc(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OC(C)c2ccncc2)cc(Nc2cnccc2C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
TRPV1 Q8NER1 10/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33

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
SCHEMBL5607367 0.97 DHODH (0.40) DHODHADRA2AADRA2BADRA2CADRA1A
SCHEMBL1992169 0.95 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1ATRPV1
SCHEMBL1998992 0.91 DHODH (0.38) DHODHALDH1A1USP2LMNAKDM4C
SCHEMBL1997594 0.90 GABRA1 (0.40) TRPV1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1996488 0.89 DHODH (0.44) DHODHALDH1A1SMN1; SMN2LMNAGABRA1
SCHEMBL1994571 0.85 ADORA3 (0.40) ADRA2AADRA2BADRA2CADRA1AALDH1A1
SCHEMBL5607826 0.83 TRPV1 (0.47) TRPV1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL1994512 0.82 ALDH1A1 (0.39) DHODHALDH1A1MAPTKMT2AKDM4C
SCHEMBL5607679 0.81 PDE4B (0.36) TRPV1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL1997921 0.81 CDC25B (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2GABRA1

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
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP claimed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO claimed