SCHEMBL24011270

SCHEMBL24011270

COc1ccc(CNC(O)NC2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MTNR1B P49286 1/20 0.41
▸ MC4R P32245 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL24011567 0.86 PKM (0.43) PKMALDH1A1KDM4EL3MBTL1MTNR1B
SCHEMBL24011556 0.85 ACHE (0.49) ALDH1A1
SCHEMBL24011062 0.84 SMN1; SMN2 (0.59) PKMHRH3ALDH1A1KDM4EL3MBTL1
SCHEMBL24011413 0.82 PKM (0.39) PKMALDH1A1KDM4EL3MBTL1MTNR1B
SCHEMBL3325902 0.81 ALDH1A1 (0.53) PKMHRH3ALDH1A1KDM4EL3MBTL1
SCHEMBL24011627 0.80 MEN1 (0.46) ALDH1A1KDM4EL3MBTL1MTNR1B
SCHEMBL3327393 0.78 HRH3 (0.58) PKMHRH3ALDH1A1L3MBTL1
SCHEMBL3327390 0.78 HRH3 (0.58) PKMHRH3ALDH1A1L3MBTL1
SCHEMBL24011251 0.78 ADAM17 (0.47) HRH3ALDH1A1LMNA
SCHEMBL24011636 0.78 ADAM17 (0.46) PKMHRH3ALDH1A1LMNAMAPT

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-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 — — WO disclosed
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