SCHEMBL9527623

SCHEMBL9527623

Cn1ncc(NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(Cl)c1=O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.49
DRD2 P14416 5/20 0.48
DRD3 P35462 5/20 0.48
ADRA1A P35348 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMO Q99835 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
BPTF Q12830 1/20 0.47
DRD5 P21918 2/20 0.47

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
SCHEMBL9527765 0.88 KMT2A (0.53) BPTF
SCHEMBL9528278 0.87 DRD2 (0.46) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9526907 0.87 HTR7 (0.49) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9527138 0.85 ATM (0.54) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9531572 0.85 KAT2B (0.58) DRD2ADRA1ABPTF
SCHEMBL9531536 0.85 KCNH2 (0.53) HTR7DRD2DRD3ADRA1AALDH1A1
SCHEMBL9527132 0.82 KAT2B (0.49) BPTF
SCHEMBL9528853 0.81 KAT2B (0.60) DRD2BPTF
SCHEMBL9527544 0.79 KAT2B (0.56) BPTF
SCHEMBL9526832 0.79 HTR7 (0.47) HTR7DRD2DRD3ADRA1AALDH1A1

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