SCHEMBL4787458

SCHEMBL4787458

Cc1cc(C(=O)O)ccc1CN(CCCN1CCOCC1)C(=O)NC(C)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.45
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
HSD17B10 Q99714 5/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CASR P41180 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
CCR4 P51679 2/20 0.41

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
SCHEMBL4922817 0.88 NPSR1 (0.52) NPSR1F10F7MEN1KMT2A
SCHEMBL4922803 0.88 NPSR1 (0.52) NPSR1F10F7MEN1KMT2A
SCHEMBL4745316 0.85 NPSR1 (0.58) NPSR1SMN1; SMN2F10F7HSD17B10
SCHEMBL14045752 0.83 NPSR1 (0.56) NPSR1F10F7ALDH1A1CASR
SCHEMBL4924403 0.82 NPSR1 (0.53) NPSR1F10F7HSD17B10MAPT
SCHEMBL14067958 0.82 NPSR1 (0.53) NPSR1F10F7MEN1KMT2A
SCHEMBL4924392 0.82 NPSR1 (0.53) NPSR1F10F7HSD17B10MAPT
SCHEMBL4918662 0.82 F10 (0.51) NPSR1F10F7MEN1KMT2A
SCHEMBL14025001 0.82 NPSR1 (0.51) NPSR1SMN1; SMN2F10F7HSD17B10
SCHEMBL4925156 0.82 NPSR1 (0.51) NPSR1SMN1; SMN2F10F7HSD17B10

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-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed