SCHEMBL4596785

SCHEMBL4596785

[CH2]C1Cc2cccc(-c3ccc(OC)cc3)c2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
MAOB P27338 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL4597054 0.87 HTR1A (0.48) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596788 0.84 DRD2 (0.52) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596908 0.83 DRD2 (0.37) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4713153 0.82 HDAC4 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596515 0.82 CYP1A1 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4596465 0.82 ALDH1A1 (0.37) DRD2HTR1AHTR7ABL1ABCB1
SCHEMBL6047929 0.81 BACE1 (0.42) HTR1AHTR7ABL1ABCB1BCR
SCHEMBL4595373 0.81 MAOB (0.38) DRD2HTR1AHTR7ABL1ABCB1
SCHEMBL4222458 0.79 PRKAB2 (0.67) DRD2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4596474 0.79 PTGDR2 (0.40) DRD2RAB9AMAPTMAOBKDM4E

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-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed