SCHEMBL18640156

SCHEMBL18640156

NC1CCN(Cc2nccs2)C(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 2/20 0.49
▸ TACR1 P25103 2/20 0.41
▸ SCN9A Q15858 1/20 0.39
▸ KDM1A O60341 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ OPRD1 P41143 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
SCHEMBL3013577 0.82 OPRK1 (0.52) OPRK1SCN9AHTTOPRD1
SCHEMBL8925926 0.81 TACR1 (0.50) TACR1
SCHEMBL8925928 0.81 TACR1 (0.50) TACR1
SCHEMBL3652328 0.81 TACR1 (0.50) TACR1
SCHEMBL3015928 0.78 SLC6A2 (0.49) OPRK1CYP2D6MAPT
SCHEMBL18640306 0.77 CHRNA7 (0.50) TACR1
SCHEMBL18640258 0.74 TACR1 (0.47) TACR1
SCHEMBL18640230 0.73 TACR1 (0.48) OPRK1TACR1
SCHEMBL18640284 0.72 TACR1 (0.47) OPRK1TACR1
SCHEMBL18640236 0.71 TACR1 (0.49) TACR1

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
EP-3349743-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION St. Jude Children's Research Hospital (US) 2018-07-25 — — EP disclosed
WO-2017049295-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-03-23 — — WO disclosed
Send feedback