SCHEMBL7965286

SCHEMBL7965286

C[C@H]1C[C@H](c2nsc3ccccc23)CCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
PLG P00747 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPAS1 Q99814 2/20 0.33
CYP1A2 P05177 1/20 0.32
GRM4 Q14833 1/20 0.32
TP53 P04637 1/20 0.32
PLAT P00750 1/20 0.31
ACHE P22303 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL7965284 1.00 DRD2 (0.41) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL10365484 1.00 DRD2 (0.41) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL1545124 0.80 KDM4E (0.49) DRD2DRD4DRD3GRM2KDM4E
Hydrochloric Acid SCHEMBL1838069 0.79 KDM4E (0.51) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL8207212 0.75 HTR2A (0.41) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL9020129 0.72 DRD2 (0.47) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL4558894 0.72 HTR2A (0.44) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL2204018 0.72 DRD2 (0.46) DRD2DRD4DRD3GRM2KDM4E
SCHEMBL1840347 0.72 DRD2 (0.58) DRD2DRD4DRD3GRM2KDM4E
Hydrochloric Acid SCHEMBL8230683 0.71 DRD2 (0.46) DRD2DRD4DRD3GRM2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed