SCHEMBL4780894

SCHEMBL4780894

Cc1c(CN2CCC(c3c(F)cccc3Cl)CC2)c2ccccc2n1CC(=O)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP2D6 P10635 1/20 0.40
HRH1 P35367 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39

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
SCHEMBL4778049 0.96 LMNA (0.44) LMNAGLAL3MBTL1TSHRKDM4E
SCHEMBL4781548 0.96 LMNA (0.44) LMNAGLAL3MBTL1TSHRKDM4E
SCHEMBL4773925 0.92 POLB (0.42) LMNAGLAL3MBTL1TSHRKDM4E
SCHEMBL4780527 0.92 SMN1; SMN2 (0.42) LMNAGLAL3MBTL1TSHRKDM4E
SCHEMBL4780556 0.92 KDM4E (0.46) LMNAGLAL3MBTL1TSHRKDM4E
SCHEMBL4779433 0.88 PTGDR2 (0.50) TSHRKDM4EPOLBSMN1; SMN2ALDH1A1
SCHEMBL4778231 0.88 KDM4E (0.46) L3MBTL1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL4778810 0.86 KDM4E (0.46) L3MBTL1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL4776203 0.86 KDM4E (0.46) L3MBTL1TSHRKDM4EPOLBSMN1; SMN2
SCHEMBL4774108 0.86 KDM4E (0.44) L3MBTL1TSHRKDM4EPOLBSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008009078-A2 4,6-DL- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
WO-2008000818-A1 FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2008-01-03 WO disclosed