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SCHEMBL25477779

SCHEMBL25477779

CN(C)CCCN(C)CCOC(=O)NCC1(C)CC(NC(=O)OCCN(C)CCCN(C)C)CC(C)(C)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.58
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ EPHX1 P07099 1/20 0.30

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
SCHEMBL25477787 0.96 TSHR (0.58) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477767 0.93 TSHR (0.60) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477743 0.91 TSHR (0.58) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477795 0.91 TSHR (0.58) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477801 0.91 TSHR (0.63) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477751 0.91 TSHR (0.66) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477969 0.89 TSHR (0.60) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25477739 0.84 TSHR (0.60) TSHRMAPTNPSR1TDP1SMN1; SMN2
SCHEMBL25478826 0.82 TSHR (0.44) TSHRMAPTEPHX1
SCHEMBL25477798 0.82 TSHR (0.63) TSHRMAPTNPSR1TDP1SMN1; SMN2

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-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 — — US disclosed
US-20230151136-A1 CATALYST COMPOSITION FOR POLYURETHANES MOMENTIVE PERFORMANCE MATERIALS INC. 2023-05-18 — — US disclosed