SCHEMBL25893909

SCHEMBL25893909

CCOC(=O)C1(OCC2CCNCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
EPHX1 P07099 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
POLB P06746 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
KDM1A O60341 3/20 0.32
MAOA P21397 3/20 0.32

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
SCHEMBL10237604 0.77 OPRM1 (0.50) OPRM1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL25305751 0.74 GPR119 (0.44) EPHX1
SCHEMBL2007741 0.72 OPRM1 (0.45) OPRM1CHRM2CHRM1CHRM3POLB
SCHEMBL40428 0.72 MGAM (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL1684100 0.71 OPRM1 (0.48) OPRM1CHRM2CHRM1CHRM3POLB
Hydrochloric Acid SCHEMBL19410760 0.71 CYP3A4 (0.44) OPRM1CHRM2CHRM1CHRM3POLB
Hydrochloric Acid SCHEMBL1967967 0.70 GNAI3 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2925260 0.70 CYP3A4 (0.51) OPRM1CHRM2CHRM1CHRM3POLB
SCHEMBL1976918 0.70 CYP3A4 (0.48) OPRM1CHRM2CHRM1CHRM3POLB
Hydrochloric Acid SCHEMBL1282252 0.70 OPRM1 (0.47) OPRM1CHRM2CHRM1CHRM3POLB

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
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 WO disclosed