SCHEMBL17848401

SCHEMBL17848401

CN(C1CCCCC1)C1(C)CCN(C(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32

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
SCHEMBL5537606 0.77 ADH1A (0.38) —
SCHEMBL17848703 0.73 EPHX1 (0.49) —
SCHEMBL12563431 0.73 GRIN2D (0.44) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL20224893 0.71 ADH1C (0.33) —
Hydrochloric Acid SCHEMBL17848627 0.69 ADH1C (0.32) —
SCHEMBL17848582 0.67 OPRK1 (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL8258048 0.66 JAK2 (0.35) —
SCHEMBL17886589 0.66 OPRM1 (0.44) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23761690 0.64 PIM1 (0.34) —
SCHEMBL9883843 0.64 PIM1 (0.34) —

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-3233077-A1 DOPAMINE D2 RECEPTOR LIGANDS The Broad Institute Inc. (US) 2017-10-25 — — EP disclosed
WO-2016100940-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2016-06-23 — — WO disclosed
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