SCHEMBL27367050

SCHEMBL27367050

CCOC(=O)C1CCc2cc(C(=O)N(C)C)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
HSD11B1 P28845 1/20 0.39
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.38
LIMK1 P53667 1/20 0.38
PDK1 Q15118 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL15946394 0.86 DRD3 (0.51) DRD2DRD3TSHRKDM4EALDH1A1
SCHEMBL27367039 0.86 ALDH1A1 (0.45) DRD2DRD3TSHRKDM4EALDH1A1
SCHEMBL20243993 0.81 KDM4E (0.43) DRD2DRD3TSHRKDM4EALDH1A1
SCHEMBL629772 0.81 OPRK1 (0.48) DRD2DRD3KDM4EALDH1A1KMT2A
SCHEMBL10529754 0.80 MAPK1 (0.46) TSHRKDM4EALDH1A1KMT2AMAPT
SCHEMBL21383104 0.80 SHMT2 (0.46) DRD2DRD3KDM4EALDH1A1KMT2A
SCHEMBL30437653 0.80 MAPK1 (0.46) TSHRKDM4EALDH1A1KMT2AMAPT
SCHEMBL10528687 0.79 CYP4F2 (0.59) DRD2DRD3KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL10528366 0.79 SHMT2 (0.45) DRD2DRD3KDM4EALDH1A1KMT2A
SCHEMBL630214 0.79 DRD2 (0.51) DRD2DRD3TSHRKDM4EALDH1A1

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed