SCHEMBL4396412

SCHEMBL4396412

CCOc1ccc(-c2cccc3[nH]c(OC(=O)NC4CCN(C[C@@H]5CCCN6CCCC[C@H]56)CC4)cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
FAAH O00519 5/20 0.34
GYS1 P13807 1/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4405668 0.93 MCHR1 (0.36) ALDH1A1TSHRHTTFAAHMEN1
SCHEMBL914587 0.88 ALDH1A1 (0.40) NPSR1ALDH1A1TP53RAB9AMEN1
SCHEMBL4410349 0.86 HRH3 (0.42) NPSR1ALDH1A1TP53TSHRHTT
SCHEMBL4396457 0.86 HRH3 (0.42) NPSR1ALDH1A1TP53TSHRHTT
SCHEMBL4411339 0.83 HTR7 (0.38) NPSR1ALDH1A1TP53GYS1RAB9A
SCHEMBL4404600 0.82 ALDH1A1 (0.36) ALDH1A1TSHRHTTSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4405691 0.81 LMNA (0.37) ALDH1A1TSHRHTTKDM4ELMNA
SCHEMBL4400753 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHTTSMN1; SMN2KDM4E
SCHEMBL914266 0.81 DRD4 (0.40) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4403425 0.79 DYRK1A (0.37) NPSR1ALDH1A1GYS1RAB9AMEN1

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
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 EP claimed