SCHEMBL9640926

SCHEMBL9640926

c1ccc(C2CCC(Oc3ccc(OC4CCC(c5ccccc5)CC4)cc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.52
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
FFAR4 Q5NUL3 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2B Q13224 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL24449391 0.96 HRH1 (0.57) HRH1SLC18A3SIGMAR1SLC6A4SLC6A2
SCHEMBL29856 0.82 HRH1 (0.71) HRH1SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL11519380 0.80 SLC18A3 (0.52) SLC18A3SIGMAR1SMN1; SMN2GRIN2BCYP2D6
SCHEMBL22816267 0.80 ESR2 (0.57) HRH1SLC18A3FFAR4CYP2C19
SCHEMBL24449591 0.80 FFAR4 (0.42) SLC18A3FFAR4CYP2C19EPHX2
Ammonia Solution, Strong SCHEMBL8078606 0.80 HRH1 (0.68) HRH1SLC6A4SLC6A2SLC6A3CHRNB2
SCHEMBL20526905 0.79 S1PR5 (0.39) HRH1SLC18A3SIGMAR1FFAR4CHRNB2
SCHEMBL16839485 0.79 PARP10 (0.46) EPHX2
SCHEMBL190417 0.79 SLC18A3 (0.67) SLC18A3SIGMAR1SMN1; SMN2GRIN2BCYP2D6
SCHEMBL41763 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370054-B1 CATALYST COMPOSITION AND METHOD FOR SELECTIVE DEHYDROGENATION EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-01-15 EP claimed
EP-0370054-A1 CATALYST COMPOSITION AND METHOD FOR SELECTIVE DEHYDROGENATION. EASTMAN KODAK CO (US) 1990-05-30 EP claimed
WO-1989000452-A1 CATALYST COMPOSITION AND METHOD FOR SELECTIVE DEHYDROGENATION EASTMAN KODAK COMPANY (US) 1989-01-26 WO claimed