SCHEMBL30615360

SCHEMBL30615360

COCOCCn1nc(C)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.52
CNR1 P21554 5/20 0.52
ACHE P22303 5/20 0.52
MAPT P10636 4/20 0.44
F2RL3 Q96RI0 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ELANE P08246 3/20 0.39
F2 P00734 2/20 0.39
PLAU P00749 2/20 0.39
CTRB1 P17538 2/20 0.39
KLKB1 P03952 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28496722 1.00 CNR2 (0.52) CNR2CNR1ACHEMAPTF2RL3
SCHEMBL14923635 0.91 CNR2 (0.55) CNR2CNR1ACHEMAPTF2RL3
SCHEMBL14923447 0.82 CNR2 (0.52) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL30860213 0.81 CNR2 (0.46) CNR2CNR1ACHEMAPTF2RL3
SCHEMBL14908867 0.81 CNR2 (0.46) CNR2CNR1ACHEMAPTF2RL3
SCHEMBL30615548 0.81 MAPT (0.53) CNR2CNR1ACHEMAPTF2RL3
SCHEMBL28495928 0.81 MAPT (0.53) CNR2CNR1ACHEMAPTF2RL3
SCHEMBL264907 0.79 ADORA2A (0.54) CNR2CNR1ACHEMAPTL3MBTL1
SCHEMBL30615450 0.79 ADORA2A (0.41) CNR2CNR1ACHEMAPTELANE
SCHEMBL28495400 0.79 ADORA2A (0.41) CNR2CNR1ACHEMAPTELANE

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-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed