SCHEMBL30604696

SCHEMBL30604696

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)NCCO)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR119 Q8TDV5 4/20 0.52
CYP2C19 P33261 1/20 0.51
SCD O00767 2/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.48
WNT3A P56704 1/20 0.48
NAMPT P43490 2/20 0.45
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCND3 P30281 1/20 0.44
CDK9 P50750 1/20 0.44
CDK6 Q00534 1/20 0.44

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
SCHEMBL29085208 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29020731 0.92 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL30385197 0.92 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL30604686 0.90 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL22912808 0.90 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29790206 0.90 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29085202 0.90 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL25738497 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL22912831 0.86 SMN1; SMN2 (0.65) SMN1; SMN2MAPTMEN1KMT2ATSHR
SCHEMBL29396475 0.86 SMN1; SMN2 (0.65) SMN1; SMN2MAPTMEN1KMT2ATSHR

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
CN-116867783-A Pyridine derivative and application thereof in medicine 成都百裕制药股份有限公司 2023-10-10 CN disclosed