SCHEMBL27362265

SCHEMBL27362265

CCOCc1cccc(C2CCOCC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.43
ADRA1A P35348 1/20 0.39
OPRL1 P41146 1/20 0.38
SLC6A4 P31645 6/20 0.36
SLC6A2 P23975 4/20 0.36
CYP2D6 P10635 3/20 0.36
SLC6A3 Q01959 3/20 0.36
HTR2C P28335 2/20 0.36
PDE10A Q9Y233 2/20 0.35

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
SCHEMBL6418440 0.74 ADRA1A (0.36) ADRA1A
SCHEMBL26530978 0.73 HTR2C (0.62) HTR6OPRL1SLC6A4SLC6A2CYP2D6
SCHEMBL22156301 0.72 PDE1A (0.41) OPRL1SLC6A4SLC6A2CYP2D6SLC6A3
SCHEMBL21163634 0.71 HTR2C (0.46) HTR6HTR2C
SCHEMBL22781622 0.70 HTR2C (0.42) OPRL1HTR2CPDE10A
SCHEMBL9442675 0.69 HTR6 (0.40) HTR6OPRL1HTR2C
SCHEMBL24749657 0.68 OPRL1 (0.34) HTR6OPRL1HTR2C
SCHEMBL27603328 0.68 ADRA1A (0.33) ADRA1A
SCHEMBL27362715 0.68 PTGDR2 (0.42) ADRA1A
SCHEMBL27672685 0.67 HTR2C (0.42) HTR6HTR2C

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
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed