SCHEMBL18640221

SCHEMBL18640221

CCCCCCN1CCC(N)CC1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.53
▸ KMT2A Q03164 1/20 0.45
▸ TACR1 P25103 1/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.44
▸ GNAI3 P08754 1/20 0.42
▸ GNAO1 P09471 1/20 0.42
▸ GNAI1 P63096 1/20 0.42

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
SCHEMBL18640269 0.99 KCNH2 (0.51) KCNH2KMT2ATACR1SPHK1
SCHEMBL18640359 0.95 KCNH2 (0.46) KCNH2TACR1
SCHEMBL18640284 0.89 TACR1 (0.47) KCNH2TACR1
SCHEMBL11788316 0.83 KCNH2 (0.51) KCNH2KMT2ASPHK1
SCHEMBL18640337 0.81 OPRK1 (0.45) TACR1
SCHEMBL18640256 0.81 TACR1 (0.47) TACR1
SCHEMBL28101802 0.80 KCNH2 (0.57) KCNH2KMT2ASPHK1
SCHEMBL11404739 0.80 KCNH2 (0.56) KCNH2SPHK1
SCHEMBL8925928 0.79 TACR1 (0.50) TACR1
SCHEMBL3652328 0.79 TACR1 (0.50) 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
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