SCHEMBL6861222

SCHEMBL6861222

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
TACR2 P21452 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
SHBG P04278 1/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
HSPD1 P10809 1/20 0.62
ADRB3 P13945 1/20 0.62
HTR2C P28335 1/20 0.62
HSPE1 P61604 1/20 0.62
HIF1A Q16665 1/20 0.62
TST Q16762 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL27453055 0.86 TNNC1 (0.62) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL27676766 0.86 TNNC1 (0.62) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL13617729 0.85 THRA (0.65) ALDH1A1THRATHRBRARBMEN1
SCHEMBL9650583 0.85 ESR1 (0.58) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7897900 0.85 SMN1; SMN2 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7900686 0.85 SMN1; SMN2 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6835676 0.85 THRA (0.65) ALDH1A1THRATHRBRARBMEN1
SCHEMBL15655566 0.85 SMN1; SMN2 (0.60) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL351935 0.85 THRA (0.65) ALDH1A1THRATHRBRARBMEN1
SCHEMBL9650566 0.85 ESR1 (0.58) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334811-A1 NOVEL ALKYLATED DIPHENYLAMINE DERIVATIVES OF TRIAZOLE AND LUBRICATING COMPOSITIONS CONTAINING THE SAME Vanderbilt Chemicals, LLC (US) 2018-06-20 EP disclosed
WO-2017030783-A1 NOVEL ALKYLATED DIPHENYLAMINE DERIVATIVES OF TRIAZOLE AND LUBRICATING COMPOSITIONS CONTAINING THE SAME VANDERBILT CHEMICALS, LLC (US) 2017-02-23 WO disclosed
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