SCHEMBL9527037

SCHEMBL9527037

Cn1nccc(NCCN2CCN(c3ccc(F)cc3)CC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ 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
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 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
SCHEMBL9528837 0.93 DRD2 (0.48) DRD2HTR2AHRH1DRD4HTR1A
SCHEMBL9528344 0.88 ADRA1D (0.48) DRD2HTR2AHTR1AADRA1DADRA1A
SCHEMBL9528853 0.83 KAT2B (0.60) DRD2HTR2AHRH1
SCHEMBL9527377 0.82 ADRA1A (0.54) DRD2HTR2AHRH1HTR1AADRA1D
SCHEMBL27263868 0.80 HTR1A (0.42) DRD2HTR2AHRH1HTR1AADRA1D
SCHEMBL9527138 0.80 ATM (0.54) DRD2ADRA1AALDH1A1
SCHEMBL9528427 0.79 HTR1A (0.46) HTR1AADRA1DADRA1AADRA1B
SCHEMBL9529694 0.79 DRD2 (0.54) DRD2HTR2AHRH1DRD4HTR1A
SCHEMBL9526989 0.78 ADRA1A (0.55) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL9526815 0.78 HTR1A (0.47) DRD4HTR1AADRA1DADRA1AADRA1B

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
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