SCHEMBL29552012

SCHEMBL29552012

Nc1ccc(C2CCOCC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
OPRL1 P41146 7/20 0.45
RPS6KA3 P51812 1/20 0.40
MAPT P10636 3/20 0.37
BACE1 P56817 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL22089867 1.00 MAOA (0.50) MAOAOPRL1RPS6KA3MAPTBACE1
SCHEMBL13014935 0.87 CHRNB2 (0.41) MAOAOPRL1MAPTCHRNB2CHRNA4
SCHEMBL30084892 0.87 CHRNB2 (0.41) MAOAOPRL1MAPTCHRNB2CHRNA4
Hydrochloric Acid SCHEMBL287323 0.85 CHRNB2 (0.40) MAOAOPRL1MAPTCHRNB2CHRNA4
SCHEMBL26131159 0.83 OPRL1 (0.41) MAOAOPRL1MAPTBACE1KDM4E
SCHEMBL21988069 0.83 ALOX5AP (0.40) OPRL1BACE1CHRNB2CHRNA4ALDH1A1
SCHEMBL240676 0.81 NUDT1 (0.42) OPRL1MAPTBACE1KDM4ECHRNB2
Hydrochloric Acid SCHEMBL239926 0.80 KDM4E (0.43) OPRL1MAPTBACE1KDM4ECHRNB2
SCHEMBL24753039 0.79 MAOA (0.35) MAOAOPRL1MAPTGAAKDM4E
SCHEMBL30120243 0.79 MAOA (0.35) MAOAOPRL1MAPTGAAKDM4E

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-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 CN disclosed
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 WO disclosed