SCHEMBL30099664

SCHEMBL30099664

c1cc(CN2CCNCC2)c2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ GAA P10253 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ BCHE P06276 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ DRD2 P14416 3/20 0.48
▸ DRD4 P21917 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ DAO P14920 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ OPRL1 P41146 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PARP1 P09874 1/20 0.45

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
SCHEMBL23609411 1.00 HTR6 (0.56) HTR6ADRB1GAAMAPTBCHE
SCHEMBL3622506 0.87 LMNA (0.58) HTR6ADRB1GAAMAPTBCHE
SCHEMBL13284389 0.86 KDM4E (0.65) HTR6GAAMAPTBCHECYP2D6
SCHEMBL23432525 0.83 GAA (0.52) GAAMAPTBCHECYP2D6LMNA
SCHEMBL948663 0.79 CYP2D6 (0.81) HTR6GAABCHECYP2D6LMNA
SCHEMBL32691857 0.78 GAA (0.50) HTR6GAAMAPTBCHECYP2D6
SCHEMBL28256631 0.77 OPRM1 (0.55) GAAMAPTBCHECYP2D6LMNA
SCHEMBL27854002 0.77 LMNA (0.47) HTR6ADRB1GAAMAPTBCHE
SCHEMBL23964231 0.76 DRD4 (0.55) HTR6GAAMAPTBCHECYP2D6
SCHEMBL29567963 0.76 ACHE (0.62) HTR6CYP2D6LMNADRD2DRD4

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
CN-115103841-B Substituted quinolinone piperazine compounds useful as T cell activators 百时美施贵宝公司 2024-12-27 — — CN disclosed
CN-115103841-A Substituted quinolinonyl piperazine compounds useful as T cell activators 百时美施贵宝公司 2022-09-23 — — CN disclosed
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