SCHEMBL18640360

SCHEMBL18640360

NC1CCN(CC2CCCC2)C(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.46
▸ OPRK1 P41145 1/20 0.43
▸ SIGMAR1 Q99720 6/20 0.41
▸ ATM Q13315 1/20 0.39

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
SCHEMBL18640302 0.99 TACR1 (0.46) TACR1OPRK1SIGMAR1ATM
SCHEMBL18640230 0.94 TACR1 (0.48) TACR1OPRK1SIGMAR1
SCHEMBL8925928 0.82 TACR1 (0.50) TACR1
SCHEMBL3652328 0.82 TACR1 (0.50) TACR1
SCHEMBL8925926 0.82 TACR1 (0.50) TACR1
SCHEMBL18640284 0.79 TACR1 (0.47) TACR1OPRK1
SCHEMBL7254828 0.78 SLC18A3 (0.43) —
SCHEMBL18640236 0.78 TACR1 (0.49) TACR1
SCHEMBL18640359 0.77 KCNH2 (0.46) TACR1
SCHEMBL11470487 0.77 OPRK1 (0.44) OPRK1SIGMAR1

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
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