SCHEMBL22864133

SCHEMBL22864133

CC(C)(CO)NCCc1ccc2nc[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EPHX2 P34913 1/20 0.43
▸ QPCT Q16769 4/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PRKCI P41743 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAD52 P43351 1/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ P2RY14 Q15391 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MMP12 P39900 1/20 0.39

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
SCHEMBL14756360 0.79 L3MBTL1 (0.49) L3MBTL1EPHX2QPCTNAMPTPRKCI
SCHEMBL24631002 0.77 HTT (0.41) PRKCIKDM4EMAPTRAD52HTT
SCHEMBL15980817 0.75 QPCT (0.47) L3MBTL1EPHX2QPCTNAMPTPRKCI
SCHEMBL17267044 0.74 DRD2 (0.52) L3MBTL1QPCTNAMPTPRKCIKDM4E
SCHEMBL9222951 0.74 QPCT (0.50) QPCTNAMPTPRKCIKDM4EMAPT
SCHEMBL3154557 0.73 P2RY14 (0.53) L3MBTL1QPCTNAMPTPRKCIKDM4E
SCHEMBL19286690 0.72 PRKCI (0.53) QPCTNAMPTPRKCIKDM4EMAPT
SCHEMBL27333684 0.72 DRD2 (0.50) L3MBTL1QPCTNAMPTPRKCIKDM4E
SCHEMBL8656478 0.71 DRD2 (0.52) QPCTPRKCIKDM4EMAPTRAD52
SCHEMBL12569410 0.70 PRKCI (0.59) L3MBTL1QPCTNAMPTPRKCIKDM4E

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-2021003161-A1 BETA ADRENERGIC AGONIST AND METHODS OF USING THE SAME CURASEN THERAPEUTICS, INC. (US) 2021-01-07 — — WO disclosed
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