SCHEMBL6017398

SCHEMBL6017398

Fc1ccc(C(F)(F)CCCN2C3CCC2CC(n2c(CC(F)(F)F)nc4cc(F)ccc42)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.59
CCR5 P51681 3/20 0.38
CPT1A P50416 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 4/20 0.33
KCNH2 Q12809 2/20 0.32
HTR2B P41595 1/20 0.32
HTR6 P50406 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL6017065 0.84 CCR3 (0.75) CCR3CCR5CPT1APIK3CDPIK3CB
SCHEMBL6017132 0.82 CCR3 (0.38) CCR3CCR5CYP11B1CYP11B2DRD2
SCHEMBL5393280 0.75 CCR3 (1.00) CCR3CPT1APIK3CDPIK3CBPDE10A
SCHEMBL6017337 0.72 CCR3 (0.59) CCR3CCR5PIK3CDPIK3CBPDE10A
SCHEMBL5377784 0.70 CCR3 (1.00) CCR3CPT1AHTR2BDRD2DRD3
SCHEMBL6344442 0.68 CCR3 (0.54) CCR3CCR5CYP11B1CYP11B2HTR2B
SCHEMBL6017180 0.68 CCR3 (0.54) CCR3CCR5CYP11B1CYP11B2KCNH2
SCHEMBL5393257 0.67 CCR3 (0.65) CCR3CPT1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5382308 0.67 CCR3 (0.64) CCR3CPT1ADRD2DRD4DRD3
SCHEMBL6017254 0.64 CCR3 (0.49) CCR3CCR5CYP11B1CYP11B2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648888-A1 N-(HETEROBICYCLOALKANES)-SUBSTITUTED INDOLES OR HETERODERIVATIVES THEREOF Boehringer Ingelheim International GmbH (DE) 2006-04-26 EP disclosed
WO-2005005425-A1 N-(HETEROBICYCLOALKANES)-SUBTITUTED INDOLES- OR HETERODERIVATIVES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 WO disclosed
EP-1496058-A1 Novel N-(heterobicycloalkanes)-substituted Indoles or heteroderivatives thereof Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-12 EP disclosed