SCHEMBL5287438

SCHEMBL5287438

CCCc1cc(CCC)c[n+](C(CC)c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
LMNA P02545 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
CYP19A1 P11511 1/20 0.33
HRH1 P35367 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5293915 0.90 HTR2A (0.45) HTR2ALMNAOPRM1OPRL1SIGMAR1
SCHEMBL5305808 0.89 HTR2A (0.51) HTR2AOPRL1CYP3A4CYP19A1
SCHEMBL5306235 0.88 TP53 (0.45) HTR2ALMNAOPRM1OPRD1OPRK1
SCHEMBL5297565 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1
SCHEMBL5292993 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1
SCHEMBL5298759 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1
SCHEMBL5297202 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1
SCHEMBL5284369 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1
SCHEMBL5301734 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1
SCHEMBL5285257 0.87 HTR2A (0.54) HTR2ALMNACYP3A4TP53CYP19A1

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed