SCHEMBL9530968

SCHEMBL9530968

Cn1ncc(NCCN2CCN(c3ccc(F)cc3)CC2)cc1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
DRD4 P21917 2/20 0.45
HTR1A P08908 3/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL9529414 0.93 ALOX15 (0.50) DRD2HTR2AHRH1LMNADRD4
SCHEMBL9527520 0.89 HTR7 (0.55) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL27263872 0.88 DRD2 (0.47) DRD2HTR2AHRH1LMNAGAA
SCHEMBL9527068 0.81 HTR7 (0.40) HTR2AHRH1HTR1AADRA1DADRA1A
SCHEMBL5926252 0.80 HTR2A (0.53) DRD2HTR2AHRH1LMNAGAA
SCHEMBL9527885 0.80 ADRA1B (0.49) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9527896 0.79 HTR1A (0.62) DRD2HTR2AHRH1LMNADRD4
SCHEMBL9528853 0.79 KAT2B (0.60) DRD2HTR2AHRH1CA1CA2
SCHEMBL9529080 0.79 POLB (0.48) DRD2HTR2ADRD4HTR1AHTR2C
SCHEMBL9529694 0.79 DRD2 (0.54) DRD2HTR2AHRH1LMNAGAA

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
EP-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 EP disclosed
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US disclosed
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