SCHEMBL27263196

SCHEMBL27263196

COc1cccc(NCCN2CCN(c3cc(Cl)n[nH]c3=O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 10/20 0.48
▸ TSHR P16473 2/20 0.47
▸ DRD2 P14416 7/20 0.46
▸ HTR1A P08908 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ 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
▸ ADRA1D P25100 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CACNA1G O43497 1/20 0.43

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
SCHEMBL27263412 0.84 ADRA1D (0.52) DRD4TSHRDRD2HTR1AALDH1A1
SCHEMBL27263871 0.84 TSHR (0.48) DRD4TSHRDRD2HTR1AALDH1A1
SCHEMBL27263519 0.83 TIPARP (0.53) DRD4TSHRDRD2ALDH1A1MAPT
SCHEMBL27263187 0.80 DRD4 (0.48) DRD4TSHRDRD2HTR1AADRA1D
SCHEMBL27263082 0.80 DRD4 (0.45) DRD4TSHRDRD2ALDH1A1ALOX15
SCHEMBL27263632 0.78 HTR1A (0.48) DRD4TSHRDRD2HTR1AALDH1A1
SCHEMBL9531701 0.77 HTR1A (0.62) DRD4TSHRDRD2HTR1AMAPT
SCHEMBL27263193 0.76 ALDH1A1 (0.55) DRD4TSHRALDH1A1MAPTTP53
SCHEMBL27263188 0.76 DRD4 (0.45) DRD4TSHRDRD2HTR1AALDH1A1
SCHEMBL27263185 0.76 TRPC5 (0.51) DRD4TSHRDRD2HTR1AALDH1A1

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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