SCHEMBL8187118

SCHEMBL8187118

CCOC(=O)c1nc2ccnn2c2c1CCN2C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
KMT2A Q03164 2/20 0.40
OGFRL1 Q5TC84 4/20 0.39
OPRM1 P35372 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRD1 P41143 2/20 0.39
MAPKAPK2 P49137 2/20 0.38
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ELANE P08246 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
TARBP2 Q15633 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL8192426 0.99 PDE4A (0.46) PDE4AKMT2AOGFRL1OPRM1OPRK1
SCHEMBL8191337 0.98 PDE4A (0.47) PDE4AKMT2AOGFRL1OPRM1OPRK1
SCHEMBL8191382 0.96 PDE4A (0.48) PDE4AKMT2AOGFRL1OPRM1OPRK1
SCHEMBL8177229 0.89 KMT2A (0.40) PDE4AKMT2AHTR2CALDH1A1POLB
SCHEMBL8189529 0.88 KMT2A (0.39) PDE4AKMT2AHTR2CALDH1A1POLB
SCHEMBL8187166 0.86 HTR2C (0.36) PDE4AKMT2AHTR2CALDH1A1POLB
SCHEMBL8186875 0.85 KMT2A (0.36) KMT2AOPRK1HTR2CALDH1A1POLB
SCHEMBL8177219 0.84 HTR2C (0.39) PDE4AKMT2AOGFRL1OPRM1OPRK1
SCHEMBL8245208 0.82 HTR2C (0.39) PDE4AKMT2AHTR2CALDH1A1POLB
SCHEMBL6627867 0.81 KDM4E (0.51) KMT2AOGFRL1OPRM1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10218881-A None JP disclosed
US-6057330-A USEFUL FOR THE PREVENTION AND TREATMENT OF A RESPIRATORY DISEASES REPRESENTED BY ASTHMA POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-05-02 US disclosed
JP-H10218881-A NEW PYRROLOPYRAZOLOPYRIMIDINE DERIVATIVE POLA CHEM IND INC 1998-08-18 JP disclosed