SCHEMBL28495928

SCHEMBL28495928

Cc1nn(CCO)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
POLB P06746 2/20 0.53
ATM Q13315 1/20 0.53
CNR2 P34972 7/20 0.51
CNR1 P21554 5/20 0.51
ACHE P22303 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
F2R P25116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
F2RL3 Q96RI0 1/20 0.45
ELANE P08246 1/20 0.42
GLS O94925 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL30615548 1.00 MAPT (0.53) MAPTPOLBATMCNR2CNR1
SCHEMBL14923447 0.88 CNR2 (0.52) MAPTPOLBATMCNR2CNR1
SCHEMBL264907 0.85 ADORA2A (0.54) MAPTCNR2CNR1ACHEL3MBTL1
SCHEMBL14923635 0.84 CNR2 (0.55) MAPTCNR2CNR1ACHEL3MBTL1
SCHEMBL11696698 0.84 MAPT (0.53) MAPTPOLBATMCNR2CNR1
SCHEMBL27822249 0.84 MAPT (0.46) MAPTPOLBATMCNR2CNR1
SCHEMBL30615360 0.81 CNR2 (0.52) MAPTCNR2CNR1ACHEL3MBTL1
SCHEMBL28496722 0.81 CNR2 (0.52) MAPTCNR2CNR1ACHEL3MBTL1
SCHEMBL14923501 0.80 MAPT (0.45) MAPTPOLBCNR2CNR1ACHE
SCHEMBL29741986 0.80 L3MBTL1 (0.63) MAPTPOLBATMCNR2CNR1

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-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed