SCHEMBL6586501

SCHEMBL6586501

O=c1[nH]nccc1NCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 6/20 0.48
▸ KCNH2 Q12809 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ HTR1A P08908 7/20 0.44
▸ DRD2 P14416 5/20 0.44
▸ HTR2A P28223 3/20 0.44
▸ HTR6 P50406 3/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ PARP1 P09874 1/20 0.44

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
SCHEMBL27263291 0.84 DRD2 (0.54) HTR7KCNH2HTR1ADRD2HTR2A
SCHEMBL9528463 0.83 GAA (0.45) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL6179970 0.82 PKM (0.59) HTR7KCNH2KMT2ASMN1; SMN2HTR1A
SCHEMBL10431149 0.82 HTR7 (0.43) HTR7KMT2AHTR1ADRD2
SCHEMBL9527044 0.81 HTR1A (0.63) HTR1ADRD2
SCHEMBL9528344 0.79 ADRA1D (0.48) HTR7KCNH2KMT2ASMN1; SMN2HTR1A
SCHEMBL27263078 0.76 HTR1A (0.41) HTR7HTR1A
SCHEMBL9528402 0.74 HTR1A (0.61) HTR7HTR1ADRD2HTR2AHTR6
SCHEMBL5926097 0.74 HTR7 (0.56) HTR7KCNH2HTR1ADRD2HTR2A
SCHEMBL9527740 0.74 DRD2 (0.64) HTR7KMT2AHTR1ADRD2HTR2A

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-1430034-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Egis Gyogyszergyar Rt. (HU) 2004-06-23 — — EP claimed
WO-2003027078-A1 SUBSTITUTED ALKYLAMINOPYRIDAZINONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2003-04-03 — — WO claimed
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