SCHEMBL8745499

SCHEMBL8745499

Nc1ccnc(N2CCNCC2)c1N

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.53
HRH3 Q9Y5N1 1/20 0.51
EPHX2 P34913 1/20 0.47
PLD1 Q13393 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
SCHEMBL20142649 0.83 KDM4E (0.45)
SCHEMBL30281019 0.83 KDM4E (0.45)
SCHEMBL17555901 0.81 ALDH1A1 (0.47)
SCHEMBL17583342 0.79 KDM4E (0.57)
SCHEMBL30622679 0.79 KDM4E (0.57)
SCHEMBL17555848 0.79 HRH4 (0.53) HRH3
SCHEMBL8415184 0.79 EPHX2 (0.59) HTR2CHRH3EPHX2PLD1
SCHEMBL17583291 0.77 SCN10A (0.40) HRH3
Hydrochloric Acid SCHEMBL8705460 0.77 EPHX2 (0.58) HTR2CEPHX2PLD1
SCHEMBL13116668 0.76 HTR2C (0.56) HTR2CEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389368-B1 New derivatives of 6-(1-piperazinyl) 2,5-pyridine diamine N,N,N',N'-substituted, procedure for their production and intermediates, their use as medicines and pharmaceutical preparations containing them ROUSSEL UCLAF (FR) 1997-01-29 EP disclosed