SCHEMBL12482193

SCHEMBL12482193

O=C(c1ccncc1)[NH+]([O-])c1cc(F)c(F)c(F)c1C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
LSS P48449 1/20 0.40
MCHR1 Q99705 5/20 0.40
CYP2D6 P10635 3/20 0.40
HTR2A P28223 3/20 0.40
CHRM1 P11229 2/20 0.40
F10 P00742 1/20 0.39
CHRM4 P08173 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL1726693 0.90 MCHR1 (0.38) KCNH2HRH3MCHR1CYP2D6HTR2A
SCHEMBL1846811 0.81 MCHR1 (0.47) KCNH2MCHR1CYP2D6HTR2ACHRM1
SCHEMBL1846809 0.74 PRKAA2 (0.42) OPRM1ACHE
SCHEMBL12482196 0.74 MCHR1 (0.37) KCNH2HRH3MCHR1CYP2D6HTR2A
SCHEMBL12482191 0.74 KDM4C (0.40) MCHR1CYP2D6HTR2ACHRM1CHRM4
SCHEMBL1725767 0.73 GSK3B (0.45) KCNH2MCHR1ACHE
SCHEMBL1847421 0.72 ACKR3 (0.49) KCNH2MCHR1CYP2D6HTR2ACHRM1
SCHEMBL1725571 0.69 DRD2 (0.38) LSSACHE
SCHEMBL1847418 0.66 PRKAA2 (0.44) OPRM1MCHR1
SCHEMBL1726547 0.64 GSK3B (0.48) MCHR1CHRM4ACHE

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-2012037282-A3 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2012-05-10 WO disclosed