SCHEMBL29201748

SCHEMBL29201748

OC[C@H](O)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
ADRA2A P08913 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
SIGMAR1 Q99720 2/20 0.62
IGF1R P08069 1/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MC4R P32245 1/20 0.53
ATM Q13315 1/20 0.53
ABCB1 P08183 2/20 0.52
DRD4 P21917 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL12781846 1.00 KDM4E (0.66) KDM4EADRA2AADRA2BADRA2CLMNA
SCHEMBL7269243 0.86 KDM4E (0.66) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL12858908 0.85 KDM4E (0.64) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL7298012 0.83 KDM4E (0.57) KDM4EADRA2AADRA2BADRA2CLMNA
SCHEMBL18159894 0.82 KDM4E (0.60) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL7357510 0.82 KDM4E (0.56) KDM4EADRA2AADRA2BADRA2CLMNA
SCHEMBL30816895 0.81 SIGMAR1 (0.60) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL30864070 0.81 SIGMAR1 (0.60) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL21164624 0.81 KDM4E (0.64) KDM4ELMNAGAASIGMAR1IGF1R
SCHEMBL30816869 0.81 SIGMAR1 (0.60) KDM4ELMNAGAASIGMAR1IGF1R

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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 CN disclosed