SCHEMBL22822702

SCHEMBL22822702

COC(=O)CCCCCNC(=O)C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.54
KMT2A Q03164 3/20 0.50
F2 P00734 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FKBP1A P62942 4/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
HTR1A P08908 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 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
SCHEMBL10118420 0.88 PRCP (0.52) PRCPKMT2AF2SMN1; SMN2FKBP1A
SCHEMBL10118436 0.88 PRCP (0.52) PRCPKMT2AF2SMN1; SMN2FKBP1A
SCHEMBL30309004 0.83 F2 (0.52) PRCPKMT2AF2SMN1; SMN2L3MBTL1
SCHEMBL29871037 0.83 F2 (0.48) PRCPKMT2AF2SMN1; SMN2L3MBTL1
SCHEMBL5035720 0.83 PRCP (0.48) PRCPKMT2AF2SMN1; SMN2FKBP1A
SCHEMBL15802665 0.81 PRCP (0.47) PRCPKMT2AF2SMN1; SMN2FKBP1A
SCHEMBL16376892 0.81 F2 (0.48) KMT2AF2SMN1; SMN2L3MBTL1TSHR
SCHEMBL10136487 0.81 F2 (0.48) KMT2AF2SMN1; SMN2L3MBTL1TSHR
SCHEMBL27420162 0.80 KMT2A (0.47) PRCPKMT2AF2SMN1; SMN2FKBP1A
SCHEMBL30877536 0.80 KMT2A (0.47) PRCPKMT2AF2SMN1; SMN2FKBP1A

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
WO-2020254603-A1 CONJUGATES OF π-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS ASCENDIS PHARMA A/S (DK) 2020-12-24 WO disclosed