SCHEMBL8553564

SCHEMBL8553564

O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.70
▸ SIGMAR1 Q99720 5/20 0.64
▸ TMEM97 Q5BJF2 2/20 0.64
▸ SLC6A12 P48065 2/20 0.64
▸ MCHR1 Q99705 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ TSHR P16473 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ ACHE P22303 1/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KCNH2 Q12809 1/20 0.62
▸ GAA P10253 1/20 0.60
▸ DRD2 P14416 1/20 0.60
▸ SLC6A13 Q9NSD5 1/20 0.58

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
SCHEMBL10554681 0.95 DRD4 (0.64) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL694949 0.87 SIGMAR1 (0.82) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL4133414 0.87 SIGMAR1 (0.67) DRD4SIGMAR1ACHEKMT2ADRD2
SCHEMBL22634135 0.84 SIGMAR1 (0.63) DRD4SIGMAR1ACHEKMT2AMEN1
SCHEMBL8786936 0.82 DRD4 (1.00) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL7694198 0.82 DRD2 (0.85) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL7694199 0.82 DRD2 (0.85) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL61848 0.82 TMEM97 (0.83) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL4840680 0.80 CCR2 (0.76) DRD4SIGMAR1TMEM97SLC6A12MCHR1
SCHEMBL31736417 0.80 MCHR1 (0.77) DRD4SIGMAR1TMEM97SLC6A12MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 — — EP disclosed
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