SCHEMBL8544449

SCHEMBL8544449

O=C(O)N(CCN1CCOCC1)c1cccc(C2CCCN2Cc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
CASR P41180 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 1/20 0.39
ACHE P22303 4/20 0.38
OPRK1 P41145 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 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
SCHEMBL9098261 0.76 SMN1; SMN2 (0.49) POLBHRH3ALDH1A1SMN1; SMN2ACHE
SCHEMBL8542137 0.76 BCHE (0.45) OPRM1ACHEOPRK1
SCHEMBL8543401 0.73 USP2 (0.47) POLBHRH3ALDH1A1KDM4EHTT
SCHEMBL8541194 0.70 DRD2 (0.59) OPRM1TSHRALDH1A1GAAKDM4E
SCHEMBL537320 0.70 SIGMAR1 (0.49) SIGMAR1TSHRPOLBPDK1PDK2
SCHEMBL8539303 0.70 DRD3 (0.47) SIGMAR1
SCHEMBL22201130 0.69 CHRNB2 (0.53) OPRM1TSHRALDH1A1GAAKDM4E
SCHEMBL2172790 0.69 CHRNB2 (0.53) OPRM1TSHRALDH1A1GAAKDM4E
SCHEMBL2262334 0.69 CASR (0.44) OPRM1SIGMAR1TSHRPOLBCASR
SCHEMBL8540323 0.68 ALDH1A1 (0.45) OPRM1TSHRALDH1A1GAAKDM4E

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
EP-0671388-B1 (Pyrrolidinyl)phenyl carbamates and intermediate compounds, processes for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1998-06-10 EP claimed