SCHEMBL6932016

SCHEMBL6932016

CCCC(C)C(=O)NC1CCc2cc3c(cc2C1)SCC3

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TAOK1 Q7L7X3 3/20 0.37
TAOK3 Q9H2K8 3/20 0.37
CNR2 P34972 1/20 0.35
ACHE P22303 3/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL7199976 0.82 MTNR1A (0.56) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL8885912 0.77 CA1 (0.40) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL11294282 0.77 MTNR1A (0.64) MTNR1AMTNR1BTAOK1TAOK3
SCHEMBL8887633 0.76 HTR1D (0.57) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL7073835 0.75 DRD2 (0.54) DRD2DRD4DRD3
SCHEMBL7073836 0.75 DRD2 (0.54) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL8686894 0.74 DRD2 (0.53) DRD2DRD4DRD3
SCHEMBL8884861 0.74 GAA (0.43) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL6561215 0.69 GRM7 (0.60) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL11298161 0.69 MTNR1A (0.54) MTNR1AMTNR1BTAOK1TAOK3

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
EP-0768307-B1 Heterocyclic tertiary amines, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-26 EP disclosed
EP-0768307-A1 Heterocyclic tertiary amines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-04-16 EP disclosed