SCHEMBL12371297

SCHEMBL12371297

c1ccc(N2CCCC2CC2CCCN2c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.51
PPARG P37231 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.42

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
SCHEMBL14509644 0.85 FFAR1 (0.49) FFAR1PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL8404390 0.85 AR (0.51) FFAR1PPARG
SCHEMBL6645372 0.85 FFAR1 (0.52) FFAR1PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL11343485 0.85 FFAR1 (0.52) FFAR1PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL20193837 0.82 FFAR1 (0.50) FFAR1PPARGKMT2A
SCHEMBL3658346 0.82 HRH3 (0.48) FFAR1PPARG
SCHEMBL988869 0.80 FFAR1 (0.46) FFAR1PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL791983 0.80 FFAR1 (0.49) FFAR1PPARG
SCHEMBL12707818 0.80 FFAR1 (0.46) FFAR1PPARGSLC6A2SLC6A4SLC6A3
SCHEMBL12707781 0.80 FFAR1 (0.76) FFAR1PPARG

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
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed