SCHEMBL29529631

SCHEMBL29529631

N#Cc1ccncc1OC[C@@H]1CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ DPP4 P27487 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ CHRNA1 P02708 1/20 0.39
▸ CHRNB1 P11230 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ CHRNB3 Q05901 1/20 0.39
▸ MET P08581 1/20 0.38
▸ ELANE P08246 2/20 0.37

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
SCHEMBL25318006 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL22366627 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL25318010 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL25319805 0.97 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL25319326 0.97 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL22588495 0.93 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL22588521 0.93 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL25317956 0.93 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3IRAK4
SCHEMBL22602644 0.85 ALOX5AP (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29102386 0.85 ALOX5AP (0.48) CHRNB2CHRNA4CHRNB4CHRNA3

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
EP-4217070-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-02 — — EP disclosed
WO-2022066734-A1 PYRROLO[3,2-C]PYRIDIN-4-ONE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2022-03-31 — — WO disclosed
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