SCHEMBL10431149

SCHEMBL10431149

Cc1cccc(C)c1N1CCN(CCNc2ccn[nH]c2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 3/20 0.43
▸ ADRA1A P35348 3/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TRPC5 Q9UL62 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ SLC6A3 Q01959 1/20 0.37

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
SCHEMBL6586501 0.82 HTR7 (0.48) HTR7HTR1AKMT2ADRD2
SCHEMBL9528427 0.81 HTR1A (0.46) HTR7ADRA1AHTR1AADRA1DADRA1B
SCHEMBL27263291 0.79 DRD2 (0.54) HTR7ADRA1AHTR1AADRA1BDRD2
SCHEMBL9528463 0.78 GAA (0.45) HTR7ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9527044 0.78 HTR1A (0.63) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL9527544 0.74 KAT2B (0.56) —
SCHEMBL9528402 0.72 HTR1A (0.61) HTR7ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9527068 0.71 HTR7 (0.40) HTR7ADRA1AHTR1AADRA1DADRA1B
SCHEMBL27263078 0.71 HTR1A (0.41) HTR7ADRA1AHTR1AADRA1DADRA1B
SCHEMBL9527740 0.71 DRD2 (0.64) HTR7ADRA1AHTR1AADRA1DADRA1B

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-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 — — EP disclosed
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