SCHEMBL8845099

SCHEMBL8845099

NC1CCc2cc3c(cc2C1)OCC3

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
DRD3 P35462 5/20 0.54
MAPT P10636 2/20 0.53
NFKB1 P19838 1/20 0.53
THPO P40225 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.51
OPRK1 P41145 1/20 0.45
PLAU P00749 1/20 0.43
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
PRKCI P41743 1/20 0.37

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
SCHEMBL10574411 1.00 DRD2 (0.54) DRD2DRD3MAPTNFKB1THPO
Hydrochloric Acid SCHEMBL10577359 0.98 DRD2 (0.52) DRD2DRD3MAPTNFKB1THPO
Hydrochloric Acid SCHEMBL10487255 0.98 DRD2 (0.52) DRD2DRD3MAPTNFKB1THPO
SCHEMBL10487375 0.90 DRD2 (0.48) DRD2DRD3MAPTNFKB1THPO
SCHEMBL18134266 0.81 MAPT (0.75) DRD2DRD3MAPTNFKB1THPO
SCHEMBL10487367 0.81 DRD2 (0.52) DRD2DRD3MAPTNFKB1THPO
SCHEMBL19816809 0.80 MAPT (0.58) DRD2DRD3MAPTNFKB1THPO
SCHEMBL10487267 0.79 DRD2 (0.44) DRD2DRD3MTNR1AMTNR1BPRKCI
SCHEMBL10577554 0.76 DRD2 (0.68) DRD2DRD3MTNR1AMTNR1B
SCHEMBL10487260 0.75 DRD2 (0.46) DRD2DRD3MTNR1AMTNR1BPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863951-A ANTIDEPRESSANTS, ANTIAGRESSIVES, DOPAMINERGIC PROPERTIES ADIR ET CIE (FR) 1989-09-05 US claimed
US-5665765-A TREATMENT OF PARKINSON'S DISEASE, MEMORY DISORDERS, DISORDERS ASSOCIATED WITH DRUG ABUSE, DEPRESSION, AND PSYCHOTIC STATES ADIR ET COMPAGNIE (FR) 1997-09-09 US disclosed
US-4885373-A AMINE DERVIVATIVES USED AS ANTIDEPRESSANT AND DOPAMINERGIC STIMULANTS ADIR ET CIE (FR) 1989-12-05 US disclosed
US-4874878-A CHEMICAL INTERMEDIATES FOR ANTIDEPRESSANTS ADIR ET CIE (FR) 1989-10-17 US disclosed
US-4863951-A ANTIDEPRESSANTS, ANTIAGRESSIVES, DOPAMINERGIC PROPERTIES ADIR ET CIE (FR) 1989-09-05 US disclosed
US-4851429-A ANTIDEPRESSANT, TRANQUILIZERS ADIR ET CIE (FR) 1989-07-25 US disclosed