SCHEMBL6861225

SCHEMBL6861225

CCCCCCCCc1ccc(C(N)c2ccc(CCCCCCCC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.62
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57
TST Q16762 1/20 0.57

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
SCHEMBL30469503 1.00 HTR2A (0.62) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL14840425 0.92 HTR2A (0.51) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1313200 0.86 HTR2A (0.60) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL1009348 0.86 HTR2A (0.60) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL9945668 0.86 HTR2A (0.60) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL27634738 0.85 HTR2A (0.58) HTR2AESR1ADRA2AADORA3TACR2
Hydrochloric Acid SCHEMBL11737570 0.85 HTR2A (0.58) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL19174795 0.84 HTR2A (0.57) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL11664454 0.83 HTR2A (0.66) HTR2AESR1ADRA2AADORA3TACR2
SCHEMBL12502918 0.83 HTR2A (0.66) HTR2AESR1ADRA2AADORA3TACR2

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
EP-1446465-A1 IMPROVED ANTIOXIDANT, ANTIWEAR/EXTREME PRESSURE ADDITIVE COMPOSITIONS AND LUBRICATING COMPOSITIONS CONTAINING THE SAME R.T. Vanderbilt Company, Inc. (US) 2004-08-18 EP disclosed
WO-2003044139-A1 IMPROVED ANTIOXIDANT, ANTIWEAR/EXTREME PRESSURE ADDITIVE COMPOSITIONS AND LUBRICATING COMPOSITIONS CONTAINING THE SAME R.T. VANDERBILT COMPANY, INC. (US) 2003-05-30 WO disclosed