SCHEMBL27263185

SCHEMBL27263185

COc1cccc(NCCN2CCN(c3cnn(C)c(=O)c3Br)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC5 Q9UL62 1/20 0.51
▸ HTR1A P08908 8/20 0.46
▸ ADRA1A P35348 4/20 0.46
▸ ADRA1B P35368 4/20 0.46
▸ ADRA1D P25100 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ DRD4 P21917 7/20 0.45
▸ DRD2 P14416 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HRH1 P35367 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
SCHEMBL27263187 0.89 DRD4 (0.48) HTR1AADRA1AADRA1BADRA1DTSHR
SCHEMBL27264119 0.86 ALOX15 (0.43) HTR1AADRA1AADRA1BADRA1DTSHR
SCHEMBL27263632 0.85 HTR1A (0.48) HTR1AADRA1AADRA1BADRA1DTSHR
SCHEMBL27263188 0.83 DRD4 (0.45) HTR1AADRA1AADRA1BADRA1DTSHR
SCHEMBL27264122 0.81 DRD4 (0.50) HTR1AADRA1AADRA1BDRD4DRD2
SCHEMBL27263412 0.80 ADRA1D (0.52) HTR1AADRA1AADRA1BADRA1DTSHR
SCHEMBL27263193 0.79 ALDH1A1 (0.55) TSHRDRD4ALDH1A1TP53MAPT
SCHEMBL27263871 0.77 TSHR (0.48) HTR1AADRA1AADRA1BADRA1DTSHR
SCHEMBL27263519 0.77 TIPARP (0.53) TRPC5TSHRDRD4DRD2ALDH1A1
SCHEMBL9527309 0.77 HTR1A (0.65) HTR1AADRA1AADRA1BADRA1DDRD4

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
Send feedback