SCHEMBL19385318

SCHEMBL19385318

O=C(OCc1ccccc1)N1CCC(c2cc(Nc3ccccc3)[nH]n2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.58
▸ JAK2 O60674 5/20 0.49
▸ JAK1 P23458 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ GRIN2B Q13224 4/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ TRPC3 Q13507 2/20 0.46
▸ TRPC7 Q9HCX4 2/20 0.46
▸ TYK2 P29597 4/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ ENPP2 Q13822 1/20 0.43

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
SCHEMBL19385317 0.87 USP30 (0.71) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL19385266 0.84 USP30 (0.59) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL16648425 0.77 USP30 (0.50) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL16648631 0.77 SMN1; SMN2 (0.57) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL19404912 0.76 GRIN2B (0.58) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL19400770 0.76 USP30 (0.69) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL6391284 0.75 CCNB2 (0.51) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL2527780 0.75 SMN1; SMN2 (0.53) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL19405091 0.74 SMN1; SMN2 (0.52) USP30JAK2JAK1SMN1; SMN2NPC1
SCHEMBL6385152 0.74 CCNA2 (0.51) USP30JAK2JAK1SMN1; SMN2NPC1

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-3433246-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS Mission Therapeutics Limited (GB) 2019-01-30 — — EP disclosed
WO-2017163078-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DBU INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2017-09-28 — — WO disclosed
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