SCHEMBL30715019

SCHEMBL30715019

NC(=O)C1CC1c1cccnc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
SLC9A1 P19634 3/20 0.39
P2RX7 Q99572 2/20 0.38
PRKCI P41743 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PRKCQ Q04759 3/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ELANE P08246 1/20 0.35
SHMT2 P34897 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL31355233 0.83 MKNK1 (0.41) MKNK1MKNK2SLC9A1P2RX7NPC1
SCHEMBL30715028 0.83 SLC9A1 (0.44) SLC9A1P2RX7NPC1MAPTRAB9A
SCHEMBL31355234 0.75 OPRM1 (0.41) NAPRTSLC9A1P2RX7NPC1MAPT
SCHEMBL30243669 0.73 GPR88 (0.45) NPC1MAPTRAB9A
SCHEMBL15541759 0.71 KDM1A (0.56) SLC9A1MAPTKDM1A
SCHEMBL4138471 0.71 KDM1A (0.55) SLC9A1KDM1A
SCHEMBL4139367 0.71 KDM1A (0.56) SLC9A1MAPTKDM1A
SCHEMBL15541112 0.71 KDM1A (0.56) SLC9A1MAPTKDM1A
SCHEMBL31701500 0.71 KDM1A (0.56) SLC9A1MAPTKDM1A
SCHEMBL4139370 0.71 KDM1A (0.56) SLC9A1MAPTKDM1A

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-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed