SCHEMBL7688533

SCHEMBL7688533

CCN(CC)CCOCc1ccccc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 1/20 0.41
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CHRM2 P08172 3/20 0.38
CHRM1 P11229 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
LTA4H P09960 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4194166 0.84 ADRB2 (0.43) DRD3DRD2DRD1KDM4ESCN1A
SCHEMBL4670353 0.84 FFAR1 (0.46) KDM4EFFAR1FFAR4SMN1; SMN2CHRM3
SCHEMBL30786891 0.82 FFAR1 (0.43) KDM4EFFAR1FFAR4SMN1; SMN2CHRM3
SCHEMBL5268171 0.80 FFAR1 (0.48) KDM4EFFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL4669318 0.78 FFAR1 (0.45) FFAR1FFAR4CHRM3
SCHEMBL6153147 0.76 TSHR (0.60) DRD3DRD2DRD1KDM4ESCN1A
SCHEMBL2431466 0.72 CYP1A2 (0.56) DRD3DRD2DRD1KDM4ESCN1A
SCHEMBL13176996 0.71 FFAR1 (0.47) KDM4EFFAR1FFAR4SMN1; SMN2TSHR
SCHEMBL11678631 0.70 TSHR (0.41) DRD3DRD2DRD1MAPTSMN1; SMN2
SCHEMBL6153020 0.70 CDYL (0.59) KDM4ESCN1ASCN2ASCN3ACHRM2

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-2002094231-A1 DELIVERY OF ANALGESICS THROUGH AN INHALATION ROUTE ALEXZA MOLECULAR DELIVERY CORPORATION (US) 2002-11-28 WO disclosed