SCHEMBL4401911

SCHEMBL4401911

CC(C)COc1cccc2[nH]c(OC(=O)NC3CCN(CCN4[C@@H]5CC[C@H]4C[C@@H](O)C5)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.38
HTR4 Q13639 4/20 0.36
PARP1 P09874 1/20 0.35
LMNA P02545 1/20 0.35
ADRB3 P13945 2/20 0.35
HTR7 P34969 3/20 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
SCHEMBL4396585 0.91 LMNA (0.40) HTR1APARP1LMNAADRB3HTR7
SCHEMBL4409085 0.88 LMNA (0.40) HTR1APARP1LMNAADRB3HTR7
SCHEMBL4402091 0.88 LMNA (0.42) HTR1AHTR4PARP1LMNAADRB3
SCHEMBL4551166 0.88 LMNA (0.42) HTR1AHTR4PARP1LMNAADRB3
SCHEMBL4405571 0.88 KDM4E (0.39) HTR1APARP1LMNAADRB3HTR7
SCHEMBL6962267 0.88 HTR1A (0.43) HTR1AHTR4PARP1HTR7
SCHEMBL914822 0.88 HTR1A (0.43) HTR1AHTR4PARP1HTR7
SCHEMBL914697 0.88 HTR1A (0.43) HTR1AHTR4PARP1HTR7
SCHEMBL4405829 0.87 PARP1 (0.37) HTR1APARP1LMNAADRB3HTR7
SCHEMBL4406787 0.87 PARP1 (0.37) HTR1APARP1LMNAADRB3HTR7

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