SCHEMBL22545937

SCHEMBL22545937

O=C(Nc1ccc(O)cc1)NC(CCCCNC(=O)c1ccc2ccccc2c1)C(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ DEGS1 O15121 1/20 0.47
▸ HDAC3 O15379 5/20 0.44
▸ HDAC4 P56524 5/20 0.44
▸ HDAC1 Q13547 5/20 0.44
▸ HDAC7 Q8WUI4 5/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC10 Q969S8 5/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.44
▸ HDAC9 Q9UKV0 5/20 0.44
▸ HDAC5 Q9UQL6 5/20 0.44
▸ DRD2 P14416 3/20 0.44
▸ DRD3 P35462 3/20 0.44
▸ FOLH1 Q04609 3/20 0.44
▸ NR1H4 Q96RI1 3/20 0.43
▸ PPARG P37231 2/20 0.43

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
SCHEMBL22545793 0.85 CHRM2 (0.42) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL22545910 0.84 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22545907 0.73 ALDH1A1 (0.48) HDAC1FOLH1
SCHEMBL22545908 0.71 FOLH1 (0.38) HDAC1HDAC6FOLH1
SCHEMBL13691767 0.70 DRD3 (0.56) DRD2DRD3
SCHEMBL13691765 0.70 NPC1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18725733 0.70 CXCR3 (0.49) —
SCHEMBL18725740 0.70 CXCR3 (0.49) —
SCHEMBL8121288 0.70 SIRT5 (0.49) CHRM2CHRM1CHRM3FOLH1
SCHEMBL13190972 0.70 CXCR4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2020210625-A1 METHODS FOR MODULATING MACROPHAGE ACTIVITY Riptide Bioscience, Inc. (US) 2020-10-15 — — WO disclosed
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