SCHEMBL9757841

SCHEMBL9757841

CCCNC1CCc2ccc(OC)cc2C1.c1ccc2c(c1)CCCC2

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.86
DRD3 P35462 11/20 0.86
POLB P06746 1/20 0.63
KMT2A Q03164 1/20 0.63
HTR1D P28221 2/20 0.59
DRD4 P21917 5/20 0.58
GRIN1 Q05586 1/20 0.57
GRIN2B Q13224 1/20 0.57
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
HTR1B P28222 1/20 0.52
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
ACHE P22303 2/20 0.51

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
SCHEMBL2701521 0.93 DRD2 (1.00) DRD2DRD3POLBKMT2AHTR1D
SCHEMBL2702018 0.93 DRD2 (1.00) DRD2DRD3POLBKMT2AHTR1D
SCHEMBL8394614 0.93 DRD2 (1.00) DRD2DRD3POLBKMT2AHTR1D
Hydrochloric Acid SCHEMBL6339640 0.91 DRD2 (0.97) DRD2DRD3POLBKMT2AHTR1D
SCHEMBL607070 0.87 DRD2 (0.90) DRD2DRD3POLBKMT2AHTR1D
Hydrochloric Acid SCHEMBL11488842 0.86 DRD2 (0.87) DRD2DRD3POLBKMT2AHTR1D
SCHEMBL6404849 0.82 POLB (0.76) DRD2DRD3POLBKMT2AGRIN1
SCHEMBL6404851 0.82 POLB (0.76) DRD2DRD3POLBKMT2AGRIN1
SCHEMBL8689197 0.82 DRD2 (0.79) DRD2DRD3POLBKMT2AHTR1D
SCHEMBL6334450 0.81 DRD2 (0.78) DRD2DRD3POLBKMT2AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407416-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-16 EP disclosed
WO-1989009050-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1989-10-05 WO disclosed