SCHEMBL30524872

SCHEMBL30524872

O=C(NCc1ccc(C(F)(F)F)cc1)[C@H]1CC(O)CN1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.51
▸ MC4R P32245 1/20 0.50
▸ P2RX7 Q99572 4/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ MTOR P42345 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ LSS P48449 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ F2 P00734 1/20 0.42

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
SCHEMBL21541012 0.89 MC4R (0.49) MC4R
SCHEMBL21540634 0.89 MC4R (0.49) MC4R
SCHEMBL30524906 0.87 KCNH2 (0.51) KCNH2MC4RP2RX7HTR2CMTOR
SCHEMBL20811542 0.87 KCNH2 (0.51) KCNH2MC4RP2RX7HTR2CMTOR
Trifluoroacetic Acid SCHEMBL22206760 0.83 MC4R (0.49) KCNH2MC4RP2RX7HTR2CMAOA
SCHEMBL16347630 0.83 MEN1 (0.49) MC4RHTR2CMAPT
SCHEMBL18319244 0.83 MEN1 (0.49) MC4RHTR2CMAPT
SCHEMBL1162854 0.82 MC4R (0.59) MC4RHTR2C
SCHEMBL15646384 0.82 NAMPT (0.51) MAPTF2
Hydrochloric Acid SCHEMBL23321183 0.82 MEN1 (0.47) MC4RHTR2CMAPT

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
CN-111601798-B Bisamide sarcomere activating compounds and uses thereof 美国安进公司 2023-08-11 — — CN claimed
CN-111601798-B Bisamide sarcomere activating compounds and uses thereof 美国安进公司 2023-08-11 — — CN disclosed
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