SCHEMBL24404490

SCHEMBL24404490

CNc1c(O)ccc(C(O)CNCc2ccc(C(=O)NC3CCN(C)C3)cc2)c1/C=C\C=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 8/20 0.38
▸ CHRM3 P20309 8/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC4 P56524 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ SLC6A5 Q9Y345 9/20 0.36
▸ UTS2R Q9UKP6 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
SCHEMBL24404566 0.95 ADRB2 (0.40) ADRB2CHRM3HDAC1HDAC4HDAC6
SCHEMBL19903846 0.77 ADRB2 (0.36) ADRB2
SCHEMBL23223709 0.70 ADRB2 (0.39) ADRB2
SCHEMBL21573538 0.69 ADRB2 (0.43) ADRB2
SCHEMBL22839802 0.68 KDM4E (0.40) ADRB2CHRM3HDAC1
SCHEMBL20373657 0.65 ADRB2 (0.40) ADRB2
SCHEMBL21573495 0.65 ADRB2 (0.42) ADRB2HDAC1
SCHEMBL18557747 0.64 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL17888351 0.63 NPC1 (0.60) HDAC1HDAC4HDAC6
SCHEMBL19226535 0.62 HDAC4 (0.53) HDAC1HDAC4HDAC6SLC6A5UTS2R

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
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 — — EP disclosed
Send feedback