SCHEMBL7445447

SCHEMBL7445447

CCCN(CCC)C1Cc2cccc(O)c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.76
DRD3 P35462 7/20 0.76
HTR1A P08908 4/20 0.76
HTR7 P34969 4/20 0.76
DRD4 P21917 3/20 0.76
HTR1D P28221 2/20 0.76
DRD1 P21728 1/20 0.76
DRD5 P21918 1/20 0.76
ADRB2 P07550 1/20 0.76
CYP1A2 P05177 1/20 0.76
CYP2D6 P10635 1/20 0.76
TSHR P16473 1/20 0.76
HTR1B P28222 1/20 0.76
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76
ADRA1A P35348 1/20 0.76
ADRA1B P35368 1/20 0.76
HTR2B P41595 1/20 0.76
HTR5A P47898 1/20 0.76
BLM P54132 1/20 0.74

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
SCHEMBL29378066 1.00 DRD2 (0.76) DRD2DRD3HTR1AHTR7DRD4
SCHEMBL29375411 1.00 DRD2 (0.76) DRD2DRD3HTR1AHTR7DRD4
8-Oh-Dpat SCHEMBL1682347 0.87 HTR1A (1.00) DRD2DRD3HTR1AHTR7DRD4
5-Oh-Dpat SCHEMBL17446178 0.87 DRD2 (1.00) DRD2DRD3HTR1AHTR7DRD4
8-Oh-Dpat SCHEMBL496783 0.87 HTR1A (1.00) DRD2DRD3HTR1AHTR7DRD4
5-Oh-Dpat SCHEMBL5705486 0.87 DRD2 (1.00) DRD2DRD3HTR1AHTR7DRD4
8-Oh-Dpat SCHEMBL1682330 0.87 HTR1A (1.00) DRD2DRD3HTR1AHTR7DRD4
5-Oh-Dpat SCHEMBL279021 0.87 DRD2 (1.00) DRD2DRD3HTR1AHTR7DRD4
5-Oh-Dpat SCHEMBL29420186 0.87 DRD2 (1.00) DRD2DRD3HTR1AHTR7DRD4
5-Oh-Dpat SCHEMBL30201073 0.87 DRD2 (1.00) DRD2DRD3HTR1AHTR7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639778-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1997-06-17 US disclosed
EP-0690843-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 1996-01-10 EP disclosed
EP-0452390-B1 HALO SUBSTITUTED AMINOTETRALINS UPJOHN CO (US) 1994-10-26 EP disclosed
WO-1994021608-A1 INDOLETETRALINS HAVING DOPAMINERGIC ACTIVITY THE UPJOHN COMPANY (US) 1994-09-29 WO disclosed
US-5225596-A Halo substituted aminotetralins THE UPJOHN COMPANY (US) 1993-07-06 US disclosed
US-5214156-A Central nervous system disorders, dopamime receptor activity THE UPJOHN COMPANY (US) 1993-05-25 US disclosed
EP-0334538-B1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-12-02 EP disclosed
EP-0452390-A1 HALO SUBSTITUTED AMINOTETRALINS. UPJOHN CO (US) 1991-10-23 EP disclosed
EP-0407416-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-16 EP disclosed
WO-1990007490-A1 HALO SUBSTITUTED AMINOTETRALINS THE UPJOHN COMPANY (US) 1990-07-12 WO disclosed
WO-1989009050-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1989-10-05 WO disclosed
EP-0334538-A1 Therapeutically useful tetralin derivatives THE UPJOHN COMPANY (US) 1989-09-27 EP disclosed