SCHEMBL7970281

SCHEMBL7970281

COc1ccc2c(c1OC)CC[C@H]1[C@H]2CCCN1CCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.56
DRD2 P14416 4/20 0.56
DRD3 P35462 3/20 0.49
DRD1 P21728 1/20 0.48
DRD4 P21917 1/20 0.48
DRD5 P21918 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL7955122 1.00 HTR1A (0.56) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL7955124 1.00 HTR1A (0.56) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL7970277 1.00 HTR1A (0.56) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL7954803 0.89 HTR1A (0.65) HTR1ADRD2DRD3
SCHEMBL7883211 0.89 SIGMAR1 (0.60) HTR1ADRD2SIGMAR1
SCHEMBL7954799 0.89 HTR1A (0.65) HTR1ADRD2DRD3
SCHEMBL7875569 0.89 SIGMAR1 (0.60) HTR1ADRD2SIGMAR1
SCHEMBL7879617 0.89 SIGMAR1 (0.60) HTR1ADRD2SIGMAR1
SCHEMBL7875567 0.89 SIGMAR1 (0.60) HTR1ADRD2SIGMAR1
SCHEMBL7879091 0.89 SIGMAR1 (0.60) HTR1ADRD2SIGMAR1

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
US-6262064-B1 AN ACTAHYDROBENZO(F)QUINOLINE-BASED COMPOUND THE BOARD OF GOVERNORS FOR HIGHER EDUCATION 2001-07-17 US disclosed
US-5863928-A TREATMENT OF PSYCHOTIC DISORDERS, PARKINSON'S DISEASE; SEDATIVES THE BOARD OF GOVERNORS FOR HIGHER EDUCATION THE STATE OF RHODE ISLAND AND PROVIDENCE PLANTATION. (US) 1999-01-26 US disclosed