SCHEMBL27263082

SCHEMBL27263082

COc1cccc(NCCN2CCN(c3c(Cl)cn[nH]c3=O)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 12/20 0.45
▸ DRD2 P14416 6/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL27263519 0.86 TIPARP (0.53) DRD4DRD2MAPTCYP1A2CYP3A4
SCHEMBL27263188 0.85 DRD4 (0.45) DRD4DRD2ALOX15MAPTKCNH2
SCHEMBL27263871 0.81 TSHR (0.48) DRD4DRD2ALOX15MAPTCYP1A2
SCHEMBL27263196 0.80 DRD4 (0.48) DRD4DRD2ALOX15MAPTKCNH2
SCHEMBL27263187 0.77 DRD4 (0.48) DRD4DRD2TSHR
SCHEMBL27264119 0.77 ALOX15 (0.43) DRD4DRD2ALOX15MAPTTP53
SCHEMBL27263980 0.76 DRD2 (0.54) DRD4DRD2KCNH2HTR2AHTR2C
SCHEMBL27263412 0.76 ADRA1D (0.52) DRD4DRD2ALOX15MAPTKCNH2
SCHEMBL27264122 0.75 DRD4 (0.50) DRD4DRD2ALOX15MAPTKCNH2
SCHEMBL27263632 0.73 HTR1A (0.48) DRD4DRD2ALOX15MAPTTP53

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
CN-1022565-C Process for preparing piperazinylalkyl-3(2H)-pyridazinones CL PHARMA (AT) 1993-10-27 — — CN disclosed
CN-1043129-A New piperazinyl alkyl-3 (2H)-pyridazinone, its preparation method and as the application of hypotensive agent CL PHARMA (AT) 1990-06-20 — — CN disclosed
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