SCHEMBL9688320

SCHEMBL9688320

CCNc1cccnc1N1CCN(C(=O)CC2(C)CCc3c(C)c(OC(C)=O)c(C)c(C)c3O2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41
PARP1 P09874 1/20 0.37
TTPA P49638 3/20 0.36
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.33
PSEN1 P49768 5/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 1/20 0.32
GSTO1 P78417 1/20 0.32

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
SCHEMBL9689222 0.89 CYP3A4 (0.41) KMT2APARP1ALOX5PPARG
SCHEMBL9690265 0.77 KMT2A (0.48) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL7521811 0.76 USP2 (0.55) MEN1KMT2APARP1TTPAALOX5
SCHEMBL9689341 0.76 MEN1 (0.47) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL9689550 0.74 USP2 (0.39) KMT2APARP1ALOX5PPARG
SCHEMBL9075119 0.69 MEN1 (0.59) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11705132 0.69 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11706067 0.69 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL11706578 0.69 MEN1 (0.61) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL14168733 0.69 MEN1 (0.64) MEN1KMT2APDE4APDE3ATTPA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed