SCHEMBL29937757

SCHEMBL29937757

O=C(Nc1ccccc1-c1cc(=O)[nH]c(=O)[nH]1)c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.54
KDR P35968 6/20 0.49
FLT3 P36888 3/20 0.49
PSMB1 P20618 3/20 0.48
PSMB5 P28074 3/20 0.48
PSMB2 P49721 2/20 0.48
LTA4H P09960 1/20 0.48
FLT1 P17948 2/20 0.46
AURKA O14965 1/20 0.46
HDAC1 Q13547 2/20 0.46
BRD4 O60885 1/20 0.46
JAK1 P23458 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL21296735 1.00 MCHR1 (0.54) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL29938397 0.88 MCHR1 (0.53) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL21296750 0.88 MCHR1 (0.53) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL21296737 0.84 MCHR1 (0.55) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL29937831 0.84 MCHR1 (0.55) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL21296838 0.84 MCHR1 (0.55) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL29938222 0.83 HRH3 (0.48) MCHR1KDRKDM4EGAA
SCHEMBL21296754 0.83 HRH3 (0.48) MCHR1KDRKDM4EGAA
SCHEMBL21296823 0.83 MCHR1 (0.52) MCHR1KDRFLT3PSMB1PSMB5
SCHEMBL21296793 0.83 KDR (0.54) MCHR1KDRFLT3PSMB1PSMB5

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-2022226133-A1 MULTIFACETED APPROACH TO NOVEL INTERLEUKIN-6 INHIBITORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-10-27 WO disclosed