SCHEMBL9015344

SCHEMBL9015344

Oc1cc2c(cc1O)NCC2.Oc1ccc2c(c1)NCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.65
DRD4 P21917 3/20 0.65
ADCY6 O43306 1/20 0.44
ADCY3 O60266 1/20 0.44
ADCY9 O60503 1/20 0.44
ADCY5 O95622 1/20 0.44
ADCY8 P40145 1/20 0.44
ADCY7 P51828 1/20 0.44
ADCY2 Q08462 1/20 0.44
ADCY1 Q08828 1/20 0.44
ADCY4 Q8NFM4 1/20 0.44
KDM1A O60341 2/20 0.41
ESR2 Q92731 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD1 P21728 2/20 0.40
P4HB P07237 1/20 0.39
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL33917 0.91 DRD2 (0.70) DRD2DRD4ADCY6ADCY3ADCY9
SCHEMBL29378459 0.91 DRD2 (0.70) DRD2DRD4ADCY6ADCY3ADCY9
Hydrochloric Acid SCHEMBL6844316 0.89 DRD2 (0.68) DRD2DRD4ADCY6ADCY3ADCY9
SCHEMBL6712764 0.87 DRD2 (0.85) DRD2DRD4ESR2GFERSMN1; SMN2
SCHEMBL29358285 0.87 DRD2 (0.57) DRD2DRD4ADCY6ADCY3ADCY9
SCHEMBL93915 0.87 DRD2 (0.57) DRD2DRD4ADCY6ADCY3ADCY9
Hydrochloric Acid SCHEMBL7571627 0.85 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
Bromide SCHEMBL9538653 0.85 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
Bromide SCHEMBL29661592 0.85 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9
Bromide SCHEMBL4622023 0.85 DRD2 (0.55) DRD2DRD4ADCY6ADCY3ADCY9

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-0575605-B1 MINERAL OR ORGANIC PARTICLE BASED PRODUCT COMPRISING AN INDOLINE PRODUCT OREAL (FR) 1996-11-27 EP claimed