SCHEMBL11560688

SCHEMBL11560688

CCCCCCCCC=CCC1=NCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
FAAH O00519 5/20 0.39
TRPV1 Q8NER1 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
TERT O14746 3/20 0.35
CYP1A2 P05177 2/20 0.35
MAPT P10636 2/20 0.35
CYP2C19 P33261 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
PPARG P37231 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL16855 1.00 HTR1D (0.44) HTR1DFAAHTRPV1TAAR1TERT
Hydrochloric Acid SCHEMBL1230861 0.87 HTR1D (0.48) HTR1DFAAHTRPV1
SCHEMBL14675201 0.82 FFAR1 (0.34) HTR1DFAAHTAAR1
SCHEMBL451606 0.81 NISCH (0.35) HTR1DTRPV1TAAR1
Phosphoric Acid SCHEMBL8585404 0.80 HTR1D (0.42) HTR1D
SCHEMBL5611781 0.80 HTR1D (0.42) HTR1DFAAHTRPV1PPARA
SCHEMBL15761494 0.79 HTR1D (0.42) HTR1DTAAR1CYP1A2LMNA
Acetic Acid SCHEMBL16993475 0.79 SLC6A5 (0.34) TAAR1CYP1A2LMNA
SCHEMBL5675527 0.75 HTR1D (0.56) HTR1DTAAR1
SCHEMBL1736375 0.75 HTR1D (0.56) HTR1DTAAR1

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
US-4174370-A INHIBITING CORROSION PETROLITE CORPORATION (US) 1979-11-13 US disclosed