SCHEMBL24011709

SCHEMBL24011709

CC(C)(O)CN1CCN(C(=O)C2CC3(CC(NCc4ccc(Cl)cc4)C3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 2/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PRCP P42785 3/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ LSS P48449 1/20 0.35

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
SCHEMBL26764199 0.89 EPHX1 (0.46) KMT2AMEN1HTTNPSR1POLB
SCHEMBL26764306 0.89 EPHX1 (0.46) KMT2AMEN1HTTNPSR1POLB
SCHEMBL26633735 0.82 EPHX2 (0.47) KMT2AMEN1KDM4EALDH1A1CNR1
SCHEMBL26764196 0.80 MCHR1 (0.46) CCR2ALDH1A1KCNH2
SCHEMBL24011500 0.79 EPHX1 (0.53) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL24011707 0.79 EPHX1 (0.53) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL24011708 0.79 EPHX1 (0.53) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL26764143 0.78 SMN1; SMN2 (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL26633918 0.76 EPHX1 (0.44) KMT2AMEN1HTTNPSR1POLB
SCHEMBL26633782 0.73 EPHX1 (0.49) KMT2AMEN1ALDH1A1HTTNPSR1

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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