SCHEMBL25443732

SCHEMBL25443732

CC(C)CCC(=O)N1CCN(c2cccc(C(=O)C(C)C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ HTR1A P08908 5/20 0.48
▸ HTR7 P34969 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ MMP2 P08253 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ ENPP2 Q13822 3/20 0.44

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
SCHEMBL25443731 0.93 MAPT (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL25443730 0.92 MAPT (0.53) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL25443727 0.91 MAPT (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL25443729 0.91 MAPT (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL25443733 0.88 CYP2C9 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL25444164 0.86 MAPT (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL25443710 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HTR1AHTR7
SCHEMBL25443746 0.83 P2RX7 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL15840436 0.82 MAPT (0.69) MEN1KMT2AALDH1A1SMN1; SMN2HTR1A
SCHEMBL22209344 0.79 HTR2C (0.62) MEN1KMT2AALDH1A1HTR1AHTR7

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-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 — — US disclosed
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 — — US disclosed
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