SCHEMBL12482196

SCHEMBL12482196

O=C([NH2+][O-])c1ccncc1-c1cc(F)c(F)c(F)c1C1CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.37
ACHE P22303 3/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
GSK3B P49841 1/20 0.36
SSTR5 P35346 1/20 0.36
F10 P00742 1/20 0.36
GRM2 Q14416 2/20 0.35
BCHE P06276 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL12482193 0.74 OPRM1 (0.42) MCHR1ACHEF10CYP2D6CHRM1
SCHEMBL1846809 0.73 PRKAA2 (0.42) ACHEGSK3BGRM2BCHE
SCHEMBL1846811 0.73 MCHR1 (0.47) MCHR1ACHELMNATSHRGSK3B
SCHEMBL12482191 0.73 KDM4C (0.40) MCHR1ACHEGSK3BSSTR5BCHE
SCHEMBL1726693 0.68 MCHR1 (0.38) MCHR1ACHEGSK3BSSTR5BCHE
SCHEMBL1725767 0.67 GSK3B (0.45) MCHR1ACHEGSK3BBCHEKCNH2
SCHEMBL1847421 0.64 ACKR3 (0.49) MCHR1ACHELMNATSHRGSK3B
SCHEMBL1847418 0.63 PRKAA2 (0.44) MCHR1SSTR5GRM2
SCHEMBL10374836 0.60 DRD2 (0.65) MCHR1LMNATSHRSSTR5HTR2A
Oxalic Acid SCHEMBL7329508 0.60 CHRM4 (0.60) HTR2AHRH3

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