SCHEMBL9636767

SCHEMBL9636767

O=C(C1NCCc2occc21)N1CCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.40
OPRK1 P41145 6/20 0.39
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
PDK2 Q15119 2/20 0.32
PDK1 Q15118 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
HDAC4 P56524 1/20 0.31
KDR P35968 2/20 0.31
FLT1 P17948 1/20 0.31
PLAT P00750 1/20 0.30
MBTD1 Q05BQ5 1/20 0.30
L3MBTL3 Q96JM7 1/20 0.30
VNN1 O95497 1/20 0.30

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
SCHEMBL9637825 0.83 GID4 (0.44) GID4OPRK1PDK2PDK1
SCHEMBL9637780 0.79 OPRK1 (0.41) OPRK1JAK2JAK1PDK2PDK1
SCHEMBL10512865 0.78 TSHR (0.55) OPRK1PDK2PDK1CHRM2CHRM4
SCHEMBL2527846 0.74 GID4 (0.55) GID4OPRK1
SCHEMBL9636740 0.72 OPRK1 (0.49) GID4OPRK1JAK2JAK1
SCHEMBL9052806 0.64 VNN1 (0.35) JAK2JAK1PLATVNN1
SCHEMBL9636773 0.62 GID4 (0.47) GID4OPRK1
SCHEMBL1868516 0.61 GID4 (0.57) GID4
SCHEMBL3283271 0.61 RAB9A (0.66)
SCHEMBL24312822 0.60 CHRNB2 (0.55) JAK2JAK1PDK2PLAT

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
US-5109008-A Analgesics, diuretics, antiischemic agents GLAXO GROUP LIMITED (GB) 1992-04-28 US disclosed
EP-0366327-A1 Furo- and thieno[3,2-c]pyridines and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1990-05-02 EP disclosed