SCHEMBL7797091

SCHEMBL7797091

CCCN(C(=O)CCCCC(=O)NCCc1ccc(C(=O)OC)cc1)[C@H]1CCc2c(ccc(OCc3ccccc3)c2OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.40
DRD2 P14416 8/20 0.39
MTNR1A P48039 2/20 0.38
PRMT5 O14744 1/20 0.36
EGFR P00533 1/20 0.36
MTNR1B P49286 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MGLL Q99685 1/20 0.35

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
SCHEMBL7797096 1.00 DRD3 (0.40) DRD3DRD2MTNR1APRMT5EGFR
SCHEMBL7338013 0.94 DRD3 (0.40) DRD3DRD2MTNR1AHDAC3HDAC4
SCHEMBL7338007 0.94 DRD3 (0.40) DRD3DRD2MTNR1AHDAC3HDAC4
SCHEMBL7332690 0.84 DRD2 (0.45) DRD3DRD2
SCHEMBL7338346 0.84 DRD2 (0.45) DRD3DRD2
SCHEMBL7397346 0.82 DRD2 (0.43) DRD3DRD2
SCHEMBL7397344 0.82 DRD2 (0.43) DRD3DRD2
SCHEMBL7329313 0.81 ADRA1D (0.41) DRD3DRD2MTNR1AMTNR1B
SCHEMBL7329325 0.81 ADRA1D (0.41) DRD3DRD2MTNR1AMTNR1B
SCHEMBL7401478 0.81 ADRA1D (0.51) DRD3DRD2

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-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed