SCHEMBL22820100

SCHEMBL22820100

O=C(Nc1ccc(F)cc1)c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1F

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.67
SLC6A12 P48065 2/20 0.67
TMEM97 Q5BJF2 1/20 0.67
MCHR1 Q99705 1/20 0.67
ALDH1A1 P00352 2/20 0.65
DRD4 P21917 3/20 0.62
POLB P06746 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
DRD3 P35462 2/20 0.60
PRKAA2 P54646 1/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
DRD2 P14416 2/20 0.58
ATM Q13315 1/20 0.58
GPR55 Q9Y2T6 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
SCHEMBL1424816 0.83 DRD4 (0.83) SIGMAR1SLC6A12TMEM97MCHR1ALDH1A1
SCHEMBL1425074 0.81 SIGMAR1 (1.00) SIGMAR1SLC6A12TMEM97MCHR1DRD4
SCHEMBL16828026 0.81 KMT2A (0.79) SIGMAR1SLC6A12TMEM97MCHR1DRD4
Hydrochloric Acid SCHEMBL9785680 0.80 SIGMAR1 (0.97) SIGMAR1SLC6A12TMEM97MCHR1DRD4
SCHEMBL22819935 0.80 HTR2B (0.69) ALDH1A1KMT2AMEN1
SCHEMBL3603262 0.79 L3MBTL1 (0.70) SIGMAR1SLC6A12TMEM97MCHR1ALDH1A1
SCHEMBL3598112 0.78 L3MBTL1 (0.73) SIGMAR1SLC6A12TMEM97MCHR1DRD4
SCHEMBL22820194 0.78 KMT2A (0.60) DRD4POLBDRD3KMT2AMEN1
SCHEMBL17803188 0.78 SIGMAR1 (0.68) SIGMAR1SLC6A12TMEM97MCHR1DRD4
SCHEMBL31616382 0.77 CCR3 (0.74) SIGMAR1SLC6A12TMEM97MCHR1ALDH1A1

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
WO-2020255425-A1 ANTI-HBV AGENT 国立研究開発法人理化学研究所 2020-12-24 WO disclosed