SCHEMBL9636773

SCHEMBL9636773

c1cc2c(o1)CCNC2CN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.47
OPRK1 P41145 7/20 0.42
CYP19A1 P11511 1/20 0.33
TBXAS1 P24557 1/20 0.33
OPRM1 P35372 2/20 0.32
LMNA P02545 1/20 0.32
ABCB1 P08183 4/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 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
SCHEMBL9636740 0.82 OPRK1 (0.49) GID4OPRK1
SCHEMBL9636760 0.76 GID4 (0.53) GID4CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL8806705 0.75 LMNA (0.34) OPRK1OPRM1LMNATAAR1
SCHEMBL3453173 0.73 OPRM1 (0.56) OPRM1
SCHEMBL9637841 0.73 GID4 (0.49) GID4OPRK1
SCHEMBL329925 0.72 OPRM1 (0.57) OPRM1LMNA
SCHEMBL9206816 0.72 GID4 (0.43) GID4OPRM1TAAR1ADRA2AADRA2B
SCHEMBL330238 0.72 OPRM1 (0.57) OPRM1LMNA
SCHEMBL329828 0.72 OPRM1 (0.57) OPRM1LMNA
SCHEMBL9528729 0.71 HTR2A (0.44) OPRK1OPRM1ADRA2AADRA2BADRA2C

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