SCHEMBL28709407

SCHEMBL28709407

c1ccc(CC2NCc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.70
PRCP P42785 1/20 0.70
HDAC8 Q9BY41 2/20 0.51
ADRB2 P07550 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 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
SCHEMBL29387026 1.00 SLC22A1 (0.70) SLC22A1PRCPHDAC8ADRB2MEN1
Hydrochloric Acid SCHEMBL11851140 0.84 PRCP (0.68) SLC22A1PRCPHDAC8ADRB2MEN1
SCHEMBL5812041 0.82 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
SCHEMBL29427922 0.82 SLC22A1 (0.49) SLC22A1PRCPMEN1KMT2A
SCHEMBL4160731 0.82 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
SCHEMBL29768314 0.82 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
SCHEMBL5284097 0.82 PRCP (1.00) SLC22A1PRCPADRB2KDM1A
Water SCHEMBL28203568 0.81 PRCP (0.97) SLC22A1PRCPADRB2KDM1A
Hydrochloric Acid SCHEMBL8823234 0.81 PRCP (0.97) SLC22A1PRCPADRB2KDM1A
SCHEMBL14028225 0.80 SLC22A1 (0.51) SLC22A1PRCPHDAC8ADRB2MEN1

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-114075130-B Benzazepine compounds and preparation method thereof 复旦大学 2023-05-09 CN disclosed
CN-114075130-A Benzoazaheterocycle compound and preparation method thereof 复旦大学 2022-02-22 CN disclosed