SCHEMBL25567786

SCHEMBL25567786

Cc1ccc(N(C)CC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CXCR3 P49682 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL25793347 0.83 P2RX7 (0.50) P2RX7HDAC6CNR2CXCR3GRIN2D
SCHEMBL25793264 0.82 P2RX7 (0.46) P2RX7HDAC6CNR2CXCR3GRIN2D
SCHEMBL18088401 0.77 P2RX7 (0.75) P2RX7HDAC6CNR2CXCR3LMNA
SCHEMBL30594782 0.69 P2RX7 (0.40) P2RX7HDAC6CXCR3HDAC3HDAC4
SCHEMBL14859122 0.69 P2RX7 (0.40) P2RX7HDAC6CXCR3HDAC3HDAC4
SCHEMBL12797602 0.68 GRIN2D (0.46) P2RX7HDAC6ALDH1A1TSHRCXCR3
SCHEMBL18088400 0.68 HDAC6 (0.60) P2RX7HDAC6CNR2CXCR3LMNA
SCHEMBL21900500 0.68 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AEPHX2
SCHEMBL28636772 0.67 MEN1 (0.52) P2RX7ALDH1A1LMNAMEN1KMT2A
SCHEMBL26081358 0.66 ALDH1A1 (0.52) ALDH1A1TSHRRAB9A

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
US-20230174852-A1 Non-Linear Optical Materials Containing High Boiling Point Solvents, and Methods of Efficiently Poling the Same LIGHTWAVE LOGIC, INC. (US) 2023-06-08 — — US disclosed
US-20230174852-A1 Non-Linear Optical Materials Containing High Boiling Point Solvents, and Methods of Efficiently Poling the Same LIGHTWAVE LOGIC, INC. (US) 2023-06-08 — — US disclosed
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