SCHEMBL9637780

SCHEMBL9637780

Cc1cc2c(o1)CCNC2C(=O)N1CCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
PLAT P00750 1/20 0.31
BRD4 O60885 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
RAB9A P51151 1/20 0.31
GHSR Q92847 3/20 0.30
SLC8A1 P32418 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
SCHEMBL9636767 0.79 GID4 (0.40) OPRK1JAK2JAK1PLATPDK1
SCHEMBL9636750 0.74 OPRK1 (0.51) OPRK1ALDH1A1
SCHEMBL10512865 0.73 TSHR (0.55) OPRK1ALDH1A1PDK1PDK2
SCHEMBL1865827 0.65 MAOA (0.43) ALDH1A1
SCHEMBL9052806 0.63 VNN1 (0.35) JAK2JAK1PLAT
SCHEMBL24312822 0.62 CHRNB2 (0.55) ALDH1A1JAK2JAK1PLATPDK2
SCHEMBL9637825 0.61 GID4 (0.44) OPRK1ALDH1A1PDK1PDK2
SCHEMBL2836589 0.60 OPRK1 (0.35) OPRK1
SCHEMBL2146232 0.59 CHRNB2 (0.43) JAK2JAK1PLATPDK2
SCHEMBL2148977 0.59 CHRNB2 (0.43) JAK2JAK1PLATPDK2

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