SCHEMBL7869073

SCHEMBL7869073

Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCCN3CCOCC3)cn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
CD274 Q9NZQ7 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8494593 0.86 HPGDS (0.48) HPGDSCD274SMN1; SMN2HPGD
SCHEMBL7869778 0.86 HPGDS (0.48) HPGDSCD274SMN1; SMN2HPGD
SCHEMBL7869009 0.86 PRKAA2 (0.44) SMN1; SMN2
Hydrochloric Acid SCHEMBL7868143 0.86 HPGDS (0.47) HPGDSCD274SMN1; SMN2HPGD
SCHEMBL8494682 0.82 SMN1; SMN2 (0.55) CD274SMN1; SMN2HPGDALDH1A1HTR1A
SCHEMBL8491403 0.82 KMT2A (0.43) SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7869101 0.81 SMN1; SMN2 (0.54) HPGDSCD274SMN1; SMN2HPGDALDH1A1
SCHEMBL7873110 0.81 PRMT5 (0.46) SMN1; SMN2ALDH1A1
SCHEMBL8495364 0.80 ALOX15 (0.47) HPGDALDH1A1
Hydrochloric Acid SCHEMBL7866438 0.79 ALOX15 (0.46) HPGDALDH1A1

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
US-6306860-B1 ANTIVIRAL ACTIVITIES AGAINST HEPATATIS B AS WELL AS HUMAN IMMUNODEFICIENCY VIRUS DONG WHA PHARM. INC. CO., LTD. (KR) 2001-10-23 US disclosed