SCHEMBL9688829

SCHEMBL9688829

CC(C)(C)OC(=O)NC[C@@H]1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.63
ACACB O00763 6/20 0.50
NAMPT P43490 2/20 0.50
ACACA Q13085 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
NPY1R P25929 2/20 0.46
NPY5R Q15761 2/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL9688646 1.00 DRD2 (0.63) DRD2ACACBNAMPTACACAADRA1D
SCHEMBL9133081 0.85 DRD2 (0.50) DRD2ACACBACACA
SCHEMBL9362314 0.85 DRD2 (0.50) DRD2ACACBACACA
SCHEMBL9134300 0.85 DRD2 (0.47) DRD2ACACBNAMPTACACA
SCHEMBL9361441 0.85 DRD2 (0.50) DRD2ACACBACACA
SCHEMBL9689056 0.84 DRD2 (0.49) DRD2ACACBNAMPTACACACKS1B
SCHEMBL12635377 0.84 DRD2 (0.52) DRD2ACACBNAMPTACACAADRA1A
SCHEMBL6194968 0.83 DRD2 (0.46) DRD2ACACBNAMPTACACAADRA1D
SCHEMBL12635376 0.83 MTNR1A (0.52) DRD2MTNR1AMTNR1B
SCHEMBL5548043 0.82 DRD2 (0.45) DRD2ACACBNAMPTACACACKS1B

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
US-5130339-A Intestine and uterine motility modulators for reduction of intraocular pressure for glaucoma treatment SANOFI (FR) 1992-07-14 US disclosed