SCHEMBL9733236

SCHEMBL9733236

FC(F)(F)c1cccc(CNCc2cn(Cc3ccccc3)c3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
HTR2C P28335 1/20 0.47
PTGS2 P35354 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
PARP1 P09874 1/20 0.46
POLB P06746 1/20 0.46
CYP19A1 P11511 1/20 0.46
ICMT O60725 5/20 0.46
ALDH1A1 P00352 2/20 0.46
APP P05067 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL9732650 0.85 ICMT (0.45) HTR6PARP1ICMTALDH1A1APP
SCHEMBL9733190 0.85 PLA2G2A (0.60) HTR6ICMTALDH1A1LMNAKMT2A
SCHEMBL9733098 0.85 ICMT (0.50) ICMT
Hydrochloric Acid SCHEMBL9733090 0.85 ICMT (0.44) HTR6ICMTALDH1A1APPLMNA
Hydrochloric Acid SCHEMBL9733235 0.85 PLA2G2A (0.59) HTR6ICMTALDH1A1LMNAKMT2A
SCHEMBL9734463 0.84 RXFP1 (0.46) POLBICMTAPPMAPT
SCHEMBL9731969 0.84 ICMT (0.50) ICMTALDH1A1LMNAMAPTKMT2A
SCHEMBL9732261 0.84 ICMT (0.56) HTR6ICMTADAM17
SCHEMBL30389137 0.84 HTR2C (0.59) HTR6HTR2CCHRNB2CHRNA7CHRNA4
SCHEMBL9585816 0.82 ICMT (0.56) ICMTALDH1A1LMNA

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
WO-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed