SCHEMBL7080017

SCHEMBL7080017

COc1ccc2c(c1)CCc1sc(CCCCN3CCN(c4ccccc4OC)CC3)nc1-2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.58
DRD3 P35462 7/20 0.58
DRD4 P21917 4/20 0.58
SIGMAR1 Q99720 3/20 0.57
HTR1A P08908 5/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.49

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
Hydrochloric Acid SCHEMBL6957049 0.99 DRD2 (0.57) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL7081171 0.97 SIGMAR1 (0.56) DRD2DRD3DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL6959307 0.97 SIGMAR1 (0.56) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL7082241 0.89 SIGMAR1 (0.52) DRD2DRD3DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL6956636 0.88 DRD2 (0.52) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL7081532 0.86 HTR1A (0.57) DRD2DRD3DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL6956800 0.85 HTR1A (0.56) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL7081265 0.84 SIGMAR1 (0.57) DRD2DRD3DRD4SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL6955921 0.83 SIGMAR1 (0.56) DRD2DRD3DRD4SIGMAR1HTR1A
SCHEMBL7077525 0.78 DRD2 (0.49) DRD2DRD3HTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851862-B1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS PHARMACIA ITALIA SPA (IT) 2003-09-10 EP claimed