SCHEMBL7029720

SCHEMBL7029720

Oc1cccc2c1CC[C@@H](N(Cc1ccccc1)Cc1ccccc1)C2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.68
DRD3 P35462 7/20 0.68
DRD1 P21728 4/20 0.68
DRD4 P21917 4/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
THPO P40225 1/20 0.68
LMNA P02545 1/20 0.67
PMP22 Q01453 1/20 0.67
HTR1A P08908 1/20 0.65
DRD5 P21918 1/20 0.65
HTR7 P34969 1/20 0.65
ADRB2 P07550 1/20 0.65

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
SCHEMBL7024427 1.00 DRD2 (0.68) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7023248 0.89 HTR1A (0.65) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL6820459 0.89 HTR1A (0.65) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL8158925 0.89 HTR1A (0.65) DRD2DRD3DRD1CYP1A2CYP3A4
Bromide SCHEMBL4750964 0.88 BLM (0.66) DRD2DRD3DRD1CYP1A2CYP3A4
SCHEMBL3315993 0.86 DRD2 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL338954 0.86 DRD2 (0.62) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL338763 0.85 DRD2 (0.58) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7104915 0.83 DRD2 (0.59) DRD2DRD3DRD1DRD4CYP1A2
SCHEMBL7020915 0.83 DRD2 (0.59) DRD2DRD3DRD1DRD4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888319-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2003-01-29 EP disclosed
US-6410530-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ASTRAZENECA AB (SE) 2002-06-25 US disclosed
US-6124283-A Substituted 1,2,3,4-tetrahydronaphthalene derivatives ASTRA AKTIEBOLAG (SE) 2000-09-26 US disclosed
EP-0888319-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES Astra Aktiebolag (SE) 1999-01-07 EP disclosed
WO-1997034883-A1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1997-09-25 WO disclosed