SCHEMBL28382199

SCHEMBL28382199

NC(=O)OC1CCN(c2cc(-c3ccccn3)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LRRK2 Q5S007 3/20 0.40
▸ GPR39 O43194 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ DCK P27707 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38

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
SCHEMBL29177368 0.82 HRH3 (0.61) HRH3TSHRSMN1; SMN2
SCHEMBL16684935 0.78 HRH3 (0.40) HRH3
SCHEMBL29283185 0.78 LMNA (0.41) HRH3LOXL2DCK
SCHEMBL16684964 0.76 GPR119 (0.53) HRH3
SCHEMBL19658510 0.76 OPRD1 (0.47) JAK2JAK3NPC1TSHRRECQL
SCHEMBL17077859 0.76 CYP2C19 (0.53) HRH3DCK
SCHEMBL28913940 0.75 HRH3 (0.56) HRH3TSHR
SCHEMBL17754138 0.74 HRH4 (0.51) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL29283189 0.74 KDM4E (0.57) TSHR
SCHEMBL19652240 0.73 TAF1 (0.42) JAK2JAK3LRRK2HRH4OPRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108613-B Bromodomain inhibitors and uses thereof 基因泰克公司 2020-02-25 — — CN disclosed
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