SCHEMBL28367123

SCHEMBL28367123

Cc1ccc(N(C=O)N2CCC(N3CCOCC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRL1 P41146 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
EBP Q15125 1/20 0.34
DHCR7 Q9UBM7 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL28367102 0.86 CYP1A2 (0.40) L3MBTL1ALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL28367567 0.79 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2EBP
SCHEMBL28367014 0.73 SMN1; SMN2 (0.41) KCNH2SMN1; SMN2TSHRHRH3
SCHEMBL12082369 0.72 L3MBTL3 (0.59) KDM4EL3MBTL3L3MBTL1ALDH1A1MEN1
SCHEMBL28363516 0.71 SMN1; SMN2 (0.40) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21402730 0.71 SMN1; SMN2 (0.33) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28367071 0.71 AKR1C3 (0.43) KDM4EALDH1A1AKR1C3
SCHEMBL5774548 0.70 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL12237815 0.69 L3MBTL3 (0.79) KDM4EL3MBTL3L3MBTL1ALDH1A1MEN1
SCHEMBL14924459 0.68 HRH3 (0.53) L3MBTL3L3MBTL1ALDH1A1SMN1; SMN2HRH3

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-110878070-B Method for preparing asymmetric urea compound 中国科学院化学研究所 2021-08-31 CN disclosed
CN-110878070-A Method for preparing asymmetric urea compound 中国科学院化学研究所 2020-03-13 CN disclosed