SCHEMBL7030108

SCHEMBL7030108

CN1CCN(c2cccc3c2C[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC3)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
GRIN2B Q13224 1/20 0.44

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
SCHEMBL8157601 1.00 DRD2 (0.48) DRD2DRD3TMEM97SIGMAR1HTR1D
SCHEMBL6816670 1.00 DRD2 (0.48) DRD2DRD3TMEM97SIGMAR1HTR1D
SCHEMBL7030804 0.91 DRD2 (0.56) DRD2DRD3
SCHEMBL7025402 0.91 DRD2 (0.56) DRD2DRD3
SCHEMBL7020675 0.90 DRD2 (0.52) DRD2DRD3HTR1DHTR1B
SCHEMBL7243293 0.88 HTR1A (0.47) DRD2DRD3SIGMAR1HTR1DHTR1B
SCHEMBL7029876 0.88 DRD2 (0.50) DRD2DRD3HTR1DHTR1B
SCHEMBL7026968 0.87 DRD2 (0.49) DRD2DRD3HTR1DHTR1B
SCHEMBL6820232 0.87 HTR1D (0.45) DRD2DRD3HTR1DHTR1B
SCHEMBL7028661 0.86 DRD2 (0.48) DRD2DRD3HTR1DHTR1B

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-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